ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide

C75H124N14O13 — CID 161341382

IUPACethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NCC1CCNC1=O.CC(C)C(=O)NCCN1CCC(O)C1.CC(C)C(=O)NCc1ccn(C)c1.CC(C)C(=O)NCc1ccn(C)n1.CCOC(=O)c1ccc(CNC(=O)C(C)C)nc1.COC(=O)c1ccc(CNC(=O)C(C)C)cc1
InChIInChI=1S/C13H18N2O3.C13H17NO3.C11H22N2O.C10H20N2O2.C10H16N2O.C9H15N3O.C9H16N2O2/c1-4-18-13(17)10-5-6-11(14-7-10)8-15-12(16)9(2)3;1-9(2)12(15)14-8-10-4-6-11(7-5-10)13(16)17-3;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-8(2)10(14)11-4-6-12-5-3-9(13)7-12;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-7(2)9(13)10-6-8-4-5-12(3)11-8;1-6(2)8(12)11-5-7-3-4-10-9(7)13/h5-7,9H,4,8H2,1-3H3,(H,15,16);4-7,9H,8H2,1-3H3,(H,14,15);9-10H,4-8H2,1-3H3,(H,12,14);8-9,13H,3-7H2,1-2H3,(H,11,14);4-5,7-8H,6H2,1-3H3,(H,11,13);4-5,7H,6H2,1-3H3,(H,10,13);6-7H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyVMSCHLLAHPVSEY-UHFFFAOYSA-N
MW1429.90 g/mol
LogP6.09
Rot. Bonds25

About ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide

ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide (PubChem CID 161341382) has the molecular formula C75H124N14O13 and a molecular weight of 1429.90 g/mol. Its IUPAC name is ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Nameethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide
PubChem CID161341382
Molecular FormulaC75H124N14O13
Molecular Weight1429.90 g/mol
Exact Mass1428.95
IUPAC Nameethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NCC1CCNC1=O.CC(C)C(=O)NCCN1CCC(O)C1.CC(C)C(=O)NCc1ccn(C)c1.CC(C)C(=O)NCc1ccn(C)n1.CCOC(=O)c1ccc(CNC(=O)C(C)C)nc1.COC(=O)c1ccc(CNC(=O)C(C)C)cc1
InChIInChI=1S/C13H18N2O3.C13H17NO3.C11H22N2O.C10H20N2O2.C10H16N2O.C9H15N3O.C9H16N2O2/c1-4-18-13(17)10-5-6-11(14-7-10)8-15-12(16)9(2)3;1-9(2)12(15)14-8-10-4-6-11(7-5-10)13(16)17-3;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-8(2)10(14)11-4-6-12-5-3-9(13)7-12;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-7(2)9(13)10-6-8-4-5-12(3)11-8;1-6(2)8(12)11-5-7-3-4-10-9(7)13/h5-7,9H,4,8H2,1-3H3,(H,15,16);4-7,9H,8H2,1-3H3,(H,14,15);9-10H,4-8H2,1-3H3,(H,12,14);8-9,13H,3-7H2,1-2H3,(H,11,14);4-5,7-8H,6H2,1-3H3,(H,11,13);4-5,7H,6H2,1-3H3,(H,10,13);6-7H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyVMSCHLLAHPVSEY-UHFFFAOYSA-N
XLogP6.09
TPSA347.75 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001429.90
LogP ≤ 56.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide with MolForge

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Related Compounds

N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid
CID 157420737
1-[4-[5-[5-[[4-(2-Hydroxyethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]phenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 156308268
1-[4-[5-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]phenyl]-2-[[5-[(E)-1-(methylideneamino)prop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]methylamino]propan-1-ol
CID 156308273
deuterio(fluoro)methane;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-1-(2-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 157932245
methyl 3-[[3-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;3-[[3-methyl-1-[(3S,4S)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 158635547
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen
CID 158751279
ethyl 3-carbamoyl-4-[[(3S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate;ethyl 3-carbamoyl-4-[[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 159062064
ethanol;ethyl 4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate;4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;4-N-methanidyl-2-N,2-N-dimethylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide;tris(yttrium)
CID 159096967
3-carbamoyl-4-[[(3S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid;ethyl 3-carbamoyl-4-[[(3S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 159284071
tert-butyl 2-methylpropanoate;cyclobutyl 2-methylpropanoate;cyclohexyl 2-methylpropanoate;cyclopentyl 2-methylpropanoate;cyclopropyl 2-methylpropanoate;ethyl 2-methylpropanoate;ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;methyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;(1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropanoate;(1-methylpyrrolidin-3-yl) 2-methylpropanoate;oxetan-3-yl 2-methylpropanoate
CID 159520244
ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 160051960
ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;2-methyl-N-[(2-methylidenepyrrolidin-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(4-propanoylphenyl)methyl]propanamide
CID 160328444

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide (CID 161341382) is ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide is CC(C)C(=O)NCC1CCN(C)CC1.CC(C)C(=O)NCC1CCNC1=O.CC(C)C(=O)NCCN1CCC(O)C1.CC(C)C(=O)NCc1ccn(C)c1.CC(C)C(=O)NCc1ccn(C)n1.CCOC(=O)c1ccc(CNC(=O)C(C)C)nc1.COC(=O)c1ccc(CNC(=O)C(C)C)cc1.
What is the InChIKey of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide?
The InChIKey is VMSCHLLAHPVSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.C13H17NO3.C11H22N2O.C10H20N2O2.C10H16N2O.C9H15N3O.C9H16N2O2/c1-4-18-13(17)10-5-6-11(14-7-10)8-15-12(16)9(2)3;1-9(2)12(15)14-8-10-4-6-11(7-5-10)13(16)17-3;1-9(2)11(14)12-8-10-4-6-13(3)7-5-10;1-8(2)10(14)11-4-6-12-5-3-9(13)7-12;1-8(2)10(13)11-6-9-4-5-12(3)7-9;1-7(2)9(13)10-6-8-4-5-12(3)11-8;1-6(2)8(12)11-5-7-3-4-10-9(7)13/h5-7,9H,4,8H2,1-3H3,(H,15,16);4-7,9H,8H2,1-3H3,(H,14,15);9-10H,4-8H2,1-3H3,(H,12,14);8-9,13H,3-7H2,1-2H3,(H,11,14);4-5,7-8H,6H2,1-3H3,(H,11,13);4-5,7H,6H2,1-3H3,(H,10,13);6-7H,3-5H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide?
ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide has a molecular weight of 1429.90 g/mol, XLogP of 6.09, 25 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methylpropanoylamino)methyl]pyridine-3-carboxylate;N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylpropanamide;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;methyl 4-[(2-methylpropanoylamino)methyl]benzoate;2-methyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide;2-methyl-N-[(2-oxopyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 161341382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).