2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C20H24N4O2 — CID 97078438

IUPAC2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)N1CCCC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C20H24N4O2/c25-19(16-11-14-5-3-7-17(14)23-20(16)26)22-13-18(24-9-1-2-10-24)15-6-4-8-21-12-15/h4,6,8,11-12,18H,1-3,5,7,9-10,13H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyUOWHSHRFOWNGSS-GOSISDBHSA-N
MW352.44 g/mol
LogP1.83
Rot. Bonds5

About 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 97078438) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID97078438
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)N1CCCC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C20H24N4O2/c25-19(16-11-14-5-3-7-17(14)23-20(16)26)22-13-18(24-9-1-2-10-24)15-6-4-8-21-12-15/h4,6,8,11-12,18H,1-3,5,7,9-10,13H2,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyUOWHSHRFOWNGSS-GOSISDBHSA-N
XLogP1.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 131907416
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 99929015
N-(2-amino-2-phenylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119529374
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
5-methoxy-2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 146042975
6-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74236670
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 97078438) is 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NC[C@H](c1cccnc1)N1CCCC1)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is UOWHSHRFOWNGSS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(16-11-14-5-3-7-17(14)23-20(16)26)22-13-18(24-9-1-2-10-24)15-6-4-8-21-12-15/h4,6,8,11-12,18H,1-3,5,7,9-10,13H2,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 97078438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).