N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide

C93H116F5N15O10 — CID 159127189

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide
SMILESC[C@@H](N(C)C(=O)c1ccc(COc2cccc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncc(C(F)(F)F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncnc2)nc1)C(C)(C)C.Cc1cc(OCc2ccc(C(=O)N[C@H](C)C(C)(C)C)cn2)ccn1
InChIInChI=1S/C20H25FN2O2.C19H22F3N3O2.C19H25N3O2.C18H22FN3O2.C17H22N4O2/c1-14(20(2,3)4)23(5)19(24)15-9-10-17(22-12-15)13-25-18-8-6-7-16(21)11-18;1-12(18(2,3)4)25-17(26)13-5-6-15(24-8-13)11-27-16-7-14(9-23-10-16)19(20,21)22;1-13-10-17(8-9-20-13)24-12-16-7-6-15(11-21-16)18(23)22-14(2)19(3,4)5;1-12(18(2,3)4)22-17(23)13-5-6-15(21-8-13)11-24-16-7-14(19)9-20-10-16;1-12(17(2,3)4)21-16(22)13-5-6-14(20-7-13)10-23-15-8-18-11-19-9-15/h6-12,14H,13H2,1-5H3;5-10,12H,11H2,1-4H3,(H,25,26);6-11,14H,12H2,1-5H3,(H,22,23);5-10,12H,11H2,1-4H3,(H,22,23);5-9,11-12H,10H2,1-4H3,(H,21,22)/t14-;12-;14-;2*12-/m11111/s1
InChIKeyKGKSWMRPPHIILN-SVYXRCRCSA-N
MW1699.04 g/mol
LogP18.05
Rot. Bonds25

About N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide

N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide (PubChem CID 159127189) has the molecular formula C93H116F5N15O10 and a molecular weight of 1699.04 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide
PubChem CID159127189
Molecular FormulaC93H116F5N15O10
Molecular Weight1699.04 g/mol
Exact Mass1697.89
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide
SMILESC[C@@H](N(C)C(=O)c1ccc(COc2cccc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncc(C(F)(F)F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncnc2)nc1)C(C)(C)C.Cc1cc(OCc2ccc(C(=O)N[C@H](C)C(C)(C)C)cn2)ccn1
InChIInChI=1S/C20H25FN2O2.C19H22F3N3O2.C19H25N3O2.C18H22FN3O2.C17H22N4O2/c1-14(20(2,3)4)23(5)19(24)15-9-10-17(22-12-15)13-25-18-8-6-7-16(21)11-18;1-12(18(2,3)4)25-17(26)13-5-6-15(24-8-13)11-27-16-7-14(9-23-10-16)19(20,21)22;1-13-10-17(8-9-20-13)24-12-16-7-6-15(11-21-16)18(23)22-14(2)19(3,4)5;1-12(18(2,3)4)22-17(23)13-5-6-15(21-8-13)11-24-16-7-14(19)9-20-10-16;1-12(17(2,3)4)21-16(22)13-5-6-14(20-7-13)10-23-15-8-18-11-19-9-15/h6-12,14H,13H2,1-5H3;5-10,12H,11H2,1-4H3,(H,25,26);6-11,14H,12H2,1-5H3,(H,22,23);5-10,12H,11H2,1-4H3,(H,22,23);5-9,11-12H,10H2,1-4H3,(H,21,22)/t14-;12-;14-;2*12-/m11111/s1
InChIKeyKGKSWMRPPHIILN-SVYXRCRCSA-N
XLogP18.05
TPSA311.76 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001699.04
LogP ≤ 518.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 59648009
US20230339891, Example 93
CID 169490150
[(2R,3S)-2-propyl-3-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127047554
[(2R,3S)-2-propyl-3-(4-pyrimidin-5-yloxypiperidine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127047555
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[4-[6-Amino-5-[[6-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-yl]methoxy]pyridin-3-yl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 58886309
N-[3-[[4-[5-(2-fluoroethoxy)-3-pyridinyl]pyrimidin-2-yl]amino]-4-methylphenyl]-6-piperidin-1-ylpyridine-3-carboxamide
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6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
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6-(3,3-difluoropiperidin-1-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one;ethyl 3-[4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidin-1-yl]propanoate
CID 87192076
4,4-dimethyl-3,3-bis[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]-N-[2-(phenylcarbamoyl)phenyl]-2-piperidin-1-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
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CID 87801664
4-[[5-acetyl-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 88944089

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide (CID 159127189) is N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide is C[C@@H](N(C)C(=O)c1ccc(COc2cccc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncc(C(F)(F)F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2cncnc2)nc1)C(C)(C)C.Cc1cc(OCc2ccc(C(=O)N[C@H](C)C(C)(C)C)cn2)ccn1.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is KGKSWMRPPHIILN-SVYXRCRCSA-N. The full InChI is InChI=1S/C20H25FN2O2.C19H22F3N3O2.C19H25N3O2.C18H22FN3O2.C17H22N4O2/c1-14(20(2,3)4)23(5)19(24)15-9-10-17(22-12-15)13-25-18-8-6-7-16(21)11-18;1-12(18(2,3)4)25-17(26)13-5-6-15(24-8-13)11-27-16-7-14(9-23-10-16)19(20,21)22;1-13-10-17(8-9-20-13)24-12-16-7-6-15(11-21-16)18(23)22-14(2)19(3,4)5;1-12(18(2,3)4)22-17(23)13-5-6-15(21-8-13)11-24-16-7-14(19)9-20-10-16;1-12(17(2,3)4)21-16(22)13-5-6-14(20-7-13)10-23-15-8-18-11-19-9-15/h6-12,14H,13H2,1-5H3;5-10,12H,11H2,1-4H3,(H,25,26);6-11,14H,12H2,1-5H3,(H,22,23);5-10,12H,11H2,1-4H3,(H,22,23);5-9,11-12H,10H2,1-4H3,(H,21,22)/t14-;12-;14-;2*12-/m11111/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 1699.04 g/mol, XLogP of 18.05, 25 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenoxy)methyl]-N-methylpyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methyl-4-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-(pyrimidin-5-yloxymethyl)pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 159127189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).