N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C14H16N4O2 — CID 71891693

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCn1nccc1CNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C14H16N4O2/c1-18-10(5-6-16-18)8-15-13(19)11-7-9-3-2-4-12(9)17-14(11)20/h5-7H,2-4,8H2,1H3,(H,15,19)(H,17,20)
InChIKeyKEYMXCSBACZLHE-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.53
Rot. Bonds3

About N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71891693) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71891693
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCn1nccc1CNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C14H16N4O2/c1-18-10(5-6-16-18)8-15-13(19)11-7-9-3-2-4-12(9)17-14(11)20/h5-7H,2-4,8H2,1H3,(H,15,19)(H,17,20)
InChIKeyKEYMXCSBACZLHE-UHFFFAOYSA-N
XLogP0.53
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-2-hydroxy-5,6-dimethylnicotinamide
CID 70741064
1-methyl-2-oxo-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 71808010
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 49738298
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71808560
5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 75519066
5-bromo-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86817235
6-ethyl-N,5-dimethyl-2-oxo-N-(2-pyrazol-1-ylethyl)-1H-pyridine-3-carboxamide
CID 138026106
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 138026666
N-[(2S)-2-(6-oxo-1H-pyridin-2-yl)propyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide
CID 177665796
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 17509197
N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 36302201
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,4-trimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 128184074

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71891693) is N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is Cn1nccc1CNC(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is KEYMXCSBACZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-10(5-6-16-18)8-15-13(19)11-7-9-3-2-4-12(9)17-14(11)20/h5-7H,2-4,8H2,1H3,(H,15,19)(H,17,20).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71891693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).