ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid

C140H187N15O29 — CID 158065690

IUPACethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid
SMILESCC(CC(=O)O)Cc1ccc(OCCc2ccc3c(n2)NCCC3)nc1.CCOC(=O)/C(C)=C/c1ccc(OC)nc1.CCOC(=O)C(C)Cc1ccc(OC)nc1.CCOC(=O)CC(C)Cc1ccc(=O)[nH]c1.CCOC(=O)CC(C)Cc1ccc(OC)nc1.CCOC(=O)CC(C)Cc1ccc(OCCc2ccc3c(n2)NCCC3)nc1.COc1ccc(C=O)cn1.COc1ccc(CC(C)C=O)cn1.COc1ccc(CC(C)CC(=O)O)cn1.COc1ccc(CC(C)CC=O)cn1.COc1ccc(CC(C)CO)cn1
InChIInChI=1S/C22H29N3O3.C20H25N3O3.C13H19NO3.C12H17NO3.C12H15NO3.C12H17NO3.C11H15NO3.C11H15NO2.C10H15NO2.C10H13NO2.C7H7NO2/c1-3-27-21(26)14-16(2)13-17-6-9-20(24-15-17)28-12-10-19-8-7-18-5-4-11-23-22(18)25-19;1-14(12-19(24)25)11-15-4-7-18(22-13-15)26-10-8-17-6-5-16-3-2-9-21-20(16)23-17;1-4-17-13(15)8-10(2)7-11-5-6-12(16-3)14-9-11;2*1-4-16-12(14)9(2)7-10-5-6-11(15-3)13-8-10;1-3-16-12(15)7-9(2)6-10-4-5-11(14)13-8-10;1-8(6-11(13)14)5-9-3-4-10(15-2)12-7-9;1-9(5-6-13)7-10-3-4-11(14-2)12-8-10;2*1-8(7-12)5-9-3-4-10(13-2)11-6-9;1-10-7-3-2-6(5-9)4-8-7/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,23,25);4-7,13-14H,2-3,8-12H2,1H3,(H,21,23)(H,24,25);5-6,9-10H,4,7-8H2,1-3H3;5-6,8-9H,4,7H2,1-3H3;5-8H,4H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,6,8-9H,5,7H2,1-2H3;3-4,6,8,12H,5,7H2,1-2H3;3-4,6-8H,5H2,1-2H3;2-5H,1H3/b;;;;9-7+;;;;;;
InChIKeyFLERHSKCUGEZOG-PNRWGGSKSA-N
MW2544.11 g/mol
LogP21.55
Rot. Bonds57

About ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid

ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid (PubChem CID 158065690) has the molecular formula C140H187N15O29 and a molecular weight of 2544.11 g/mol. Its IUPAC name is ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid.

Molecular Properties

Compound Nameethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid
PubChem CID158065690
Molecular FormulaC140H187N15O29
Molecular Weight2544.11 g/mol
Exact Mass2542.36
IUPAC Nameethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid
SMILESCC(CC(=O)O)Cc1ccc(OCCc2ccc3c(n2)NCCC3)nc1.CCOC(=O)/C(C)=C/c1ccc(OC)nc1.CCOC(=O)C(C)Cc1ccc(OC)nc1.CCOC(=O)CC(C)Cc1ccc(=O)[nH]c1.CCOC(=O)CC(C)Cc1ccc(OC)nc1.CCOC(=O)CC(C)Cc1ccc(OCCc2ccc3c(n2)NCCC3)nc1.COc1ccc(C=O)cn1.COc1ccc(CC(C)C=O)cn1.COc1ccc(CC(C)CC(=O)O)cn1.COc1ccc(CC(C)CC=O)cn1.COc1ccc(CC(C)CO)cn1
InChIInChI=1S/C22H29N3O3.C20H25N3O3.C13H19NO3.C12H17NO3.C12H15NO3.C12H17NO3.C11H15NO3.C11H15NO2.C10H15NO2.C10H13NO2.C7H7NO2/c1-3-27-21(26)14-16(2)13-17-6-9-20(24-15-17)28-12-10-19-8-7-18-5-4-11-23-22(18)25-19;1-14(12-19(24)25)11-15-4-7-18(22-13-15)26-10-8-17-6-5-16-3-2-9-21-20(16)23-17;1-4-17-13(15)8-10(2)7-11-5-6-12(16-3)14-9-11;2*1-4-16-12(14)9(2)7-10-5-6-11(15-3)13-8-10;1-3-16-12(15)7-9(2)6-10-4-5-11(14)13-8-10;1-8(6-11(13)14)5-9-3-4-10(15-2)12-7-9;1-9(5-6-13)7-10-3-4-11(14-2)12-8-10;2*1-8(7-12)5-9-3-4-10(13-2)11-6-9;1-10-7-3-2-6(5-9)4-8-7/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,23,25);4-7,13-14H,2-3,8-12H2,1H3,(H,21,23)(H,24,25);5-6,9-10H,4,7-8H2,1-3H3;5-6,8-9H,4,7H2,1-3H3;5-8H,4H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,6,8-9H,5,7H2,1-2H3;3-4,6,8,12H,5,7H2,1-2H3;3-4,6-8H,5H2,1-2H3;2-5H,1H3/b;;;;9-7+;;;;;;
InChIKeyFLERHSKCUGEZOG-PNRWGGSKSA-N
XLogP21.55
TPSA581.44 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds57
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002544.11
LogP ≤ 521.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-(6-methoxy-3-pyridinyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 42607047
(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7-ethyl-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380791
2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380794
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380821
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-propoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380830
(7S,8R)-2-[[5-[(1S)-1-amino-1-cyclopropylethyl]-8-(3-hydroxycyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380838
(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380842
(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380868
(7R,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380936
(8R)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380955
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380981
(7S,8R)-2-[[5-[(1R)-1-aminopropyl]-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380995

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid?
The IUPAC name of ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid (CID 158065690) is ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid.
What is the SMILES notation for ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid?
The canonical SMILES for ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid is CC(CC(=O)O)Cc1ccc(OCCc2ccc3c(n2)NCCC3)nc1.CCOC(=O)/C(C)=C/c1ccc(OC)nc1.CCOC(=O)C(C)Cc1ccc(OC)nc1.CCOC(=O)CC(C)Cc1ccc(=O)[nH]c1.CCOC(=O)CC(C)Cc1ccc(OC)nc1.CCOC(=O)CC(C)Cc1ccc(OCCc2ccc3c(n2)NCCC3)nc1.COc1ccc(C=O)cn1.COc1ccc(CC(C)C=O)cn1.COc1ccc(CC(C)CC(=O)O)cn1.COc1ccc(CC(C)CC=O)cn1.COc1ccc(CC(C)CO)cn1.
What is the InChIKey of ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid?
The InChIKey is FLERHSKCUGEZOG-PNRWGGSKSA-N. The full InChI is InChI=1S/C22H29N3O3.C20H25N3O3.C13H19NO3.C12H17NO3.C12H15NO3.C12H17NO3.C11H15NO3.C11H15NO2.C10H15NO2.C10H13NO2.C7H7NO2/c1-3-27-21(26)14-16(2)13-17-6-9-20(24-15-17)28-12-10-19-8-7-18-5-4-11-23-22(18)25-19;1-14(12-19(24)25)11-15-4-7-18(22-13-15)26-10-8-17-6-5-16-3-2-9-21-20(16)23-17;1-4-17-13(15)8-10(2)7-11-5-6-12(16-3)14-9-11;2*1-4-16-12(14)9(2)7-10-5-6-11(15-3)13-8-10;1-3-16-12(15)7-9(2)6-10-4-5-11(14)13-8-10;1-8(6-11(13)14)5-9-3-4-10(15-2)12-7-9;1-9(5-6-13)7-10-3-4-11(14-2)12-8-10;2*1-8(7-12)5-9-3-4-10(13-2)11-6-9;1-10-7-3-2-6(5-9)4-8-7/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,23,25);4-7,13-14H,2-3,8-12H2,1H3,(H,21,23)(H,24,25);5-6,9-10H,4,7-8H2,1-3H3;5-6,8-9H,4,7H2,1-3H3;5-8H,4H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,6,8-9H,5,7H2,1-2H3;3-4,6,8,12H,5,7H2,1-2H3;3-4,6-8H,5H2,1-2H3;2-5H,1H3/b;;;;9-7+;;;;;;.
What are the key properties of ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid?
ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid has a molecular weight of 2544.11 g/mol, XLogP of 21.55, 57 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-methoxy-3-pyridinyl)-3-methylbutanoate;ethyl 3-(6-methoxy-3-pyridinyl)-2-methylpropanoate;ethyl (E)-3-(6-methoxy-3-pyridinyl)-2-methylprop-2-enoate;ethyl 3-methyl-4-(6-oxo-1H-pyridin-3-yl)butanoate;ethyl 3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoate;6-methoxypyridine-3-carbaldehyde;4-(6-methoxy-3-pyridinyl)-3-methylbutanal;4-(6-methoxy-3-pyridinyl)-3-methylbutanoic acid;3-(6-methoxy-3-pyridinyl)-2-methylpropanal;3-(6-methoxy-3-pyridinyl)-2-methylpropan-1-ol;3-methyl-4-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-3-pyridinyl]butanoic acid is sourced from PubChem (CID 158065690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).