4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide

C12H13ClN4O — CID 81226293

IUPAC4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCn2cccn2)cn1
InChIInChI=1S/C12H13ClN4O/c1-9-7-11(13)10(8-15-9)12(18)14-4-6-17-5-2-3-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,14,18)
InChIKeyCZMRIBAPPIWBBY-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.67
Rot. Bonds4

About 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide (PubChem CID 81226293) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
PubChem CID81226293
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCn2cccn2)cn1
InChIInChI=1S/C12H13ClN4O/c1-9-7-11(13)10(8-15-9)12(18)14-4-6-17-5-2-3-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,14,18)
InChIKeyCZMRIBAPPIWBBY-UHFFFAOYSA-N
XLogP1.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
6-methyl-4-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81240692
4-hydrazinyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81256862
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 114089447
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81226552
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide (CID 81226293) is 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCCn2cccn2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is CZMRIBAPPIWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-9-7-11(13)10(8-15-9)12(18)14-4-6-17-5-2-3-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,14,18).
What are the key properties of 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).