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

C13H15ClN4O — CID 112701067

IUPAC4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCCn2cccn2)cn1
InChIInChI=1S/C13H15ClN4O/c1-10-8-12(14)11(9-16-10)13(19)15-4-2-6-18-7-3-5-17-18/h3,5,7-9H,2,4,6H2,1H3,(H,15,19)
InChIKeyATVVMZCJPBPWDB-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.06
Rot. Bonds5

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

4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 112701067) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID112701067
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCCn2cccn2)cn1
InChIInChI=1S/C13H15ClN4O/c1-10-8-12(14)11(9-16-10)13(19)15-4-2-6-18-7-3-5-17-18/h3,5,7-9H,2,4,6H2,1H3,(H,15,19)
InChIKeyATVVMZCJPBPWDB-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
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
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393058

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (CID 112701067) is 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCCCn2cccn2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is ATVVMZCJPBPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-10-8-12(14)11(9-16-10)13(19)15-4-2-6-18-7-3-5-17-18/h3,5,7-9H,2,4,6H2,1H3,(H,15,19).
What are the key properties of 4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.06, 5 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-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 112701067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).