3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide

C18H26N4O2 — CID 135117526

IUPAC3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide
SMILESCN1C[C@@H]2C[C@H](N(C)CCC(=O)Nc3cccnc3)C[C@@H]2CC1=O
InChIInChI=1S/C18H26N4O2/c1-21(7-5-17(23)20-15-4-3-6-19-11-15)16-8-13-10-18(24)22(2)12-14(13)9-16/h3-4,6,11,13-14,16H,5,7-10,12H2,1-2H3,(H,20,23)/t13-,14+,16-/m1/s1
InChIKeyQRYLMOILFRCGEN-IJEWVQPXSA-N
MW330.43 g/mol
LogP1.60
Rot. Bonds5

About 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide

3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide (PubChem CID 135117526) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide
PubChem CID135117526
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide
SMILESCN1C[C@@H]2C[C@H](N(C)CCC(=O)Nc3cccnc3)C[C@@H]2CC1=O
InChIInChI=1S/C18H26N4O2/c1-21(7-5-17(23)20-15-4-3-6-19-11-15)16-8-13-10-18(24)22(2)12-14(13)9-16/h3-4,6,11,13-14,16H,5,7-10,12H2,1-2H3,(H,20,23)/t13-,14+,16-/m1/s1
InChIKeyQRYLMOILFRCGEN-IJEWVQPXSA-N
XLogP1.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-phenylacetamide
CID 135103671
3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide
CID 91840850
(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 134712054
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N-methylpyridine-4-carboxamide
CID 134696883
(4aS,6S,7aS)-6-[2-(4-chloropyrazol-1-yl)ethyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 162632133
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 162628560
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,3-dimethylpyridine-2-carboxamide
CID 157011004
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
CID 124753837
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519

Frequently Asked Questions

What is the IUPAC name of 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide (CID 135117526) is 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide is CN1C[C@@H]2C[C@H](N(C)CCC(=O)Nc3cccnc3)C[C@@H]2CC1=O.
What is the InChIKey of 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide?
The InChIKey is QRYLMOILFRCGEN-IJEWVQPXSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(7-5-17(23)20-15-4-3-6-19-11-15)16-8-13-10-18(24)22(2)12-14(13)9-16/h3-4,6,11,13-14,16H,5,7-10,12H2,1-2H3,(H,20,23)/t13-,14+,16-/m1/s1.
What are the key properties of 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide?
3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide has a molecular weight of 330.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 135117526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).