1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide

C20H28N4O2 — CID 91925368

IUPAC1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C12CCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C20H28N4O2/c1-13-16(14(2)23-22-13)12-21-19(26)20-10-5-8-17(20)24(18(25)9-11-20)15-6-3-4-7-15/h8,15H,3-7,9-12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyAMMBYQSNHSAOLQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.87
Rot. Bonds4

About 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide

1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide (PubChem CID 91925368) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide
PubChem CID91925368
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C12CCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C20H28N4O2/c1-13-16(14(2)23-22-13)12-21-19(26)20-10-5-8-17(20)24(18(25)9-11-20)15-6-3-4-7-15/h8,15H,3-7,9-12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyAMMBYQSNHSAOLQ-UHFFFAOYSA-N
XLogP2.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide (CID 91925368) is 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide is Cc1n[nH]c(C)c1CNC(=O)C12CCC=C1N(C1CCCC1)C(=O)CC2.
What is the InChIKey of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide?
The InChIKey is AMMBYQSNHSAOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-16(14(2)23-22-13)12-21-19(26)20-10-5-8-17(20)24(18(25)9-11-20)15-6-3-4-7-15/h8,15H,3-7,9-12H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide?
1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxamide is sourced from PubChem (CID 91925368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).