6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide

C16H19ClN4O — CID 129301785

IUPAC6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnn(CC3CCCC3)c2)c(Cl)n1
InChIInChI=1S/C16H19ClN4O/c1-18-16(22)14-7-6-13(15(17)20-14)12-8-19-21(10-12)9-11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,18,22)
InChIKeyKYNWAAABPPTCQJ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.15
Rot. Bonds4

About 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide

6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 129301785) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID129301785
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnn(CC3CCCC3)c2)c(Cl)n1
InChIInChI=1S/C16H19ClN4O/c1-18-16(22)14-7-6-13(15(17)20-14)12-8-19-21(10-12)9-11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,18,22)
InChIKeyKYNWAAABPPTCQJ-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-3-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
CID 170835965
2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637762
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
CID 172815704
5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172677644
6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391908
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
3-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-methylsulfonylaniline
CID 166176429
N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 95603465
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
CID 163201424

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide (CID 129301785) is 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cnn(CC3CCCC3)c2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is KYNWAAABPPTCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-18-16(22)14-7-6-13(15(17)20-14)12-8-19-21(10-12)9-11-4-2-3-5-11/h6-8,10-11H,2-5,9H2,1H3,(H,18,22).
What are the key properties of 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide?
6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 129301785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).