4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide

C16H17ClN2O — CID 81226564

IUPAC4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C16H17ClN2O/c1-3-6-12-7-4-5-8-15(12)19-16(20)13-10-18-11(2)9-14(13)17/h4-5,7-10H,3,6H2,1-2H3,(H,19,20)
InChIKeyLPWKSUJETKJQJR-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.25
Rot. Bonds4

About 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide (PubChem CID 81226564) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
PubChem CID81226564
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C16H17ClN2O/c1-3-6-12-7-4-5-8-15(12)19-16(20)13-10-18-11(2)9-14(13)17/h4-5,7-10H,3,6H2,1-2H3,(H,19,20)
InChIKeyLPWKSUJETKJQJR-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(ethoxymethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 81227998
4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 81227997
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
N-(2-ethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236414
4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 114331675
4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878
2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870056
4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 81230952
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
5-methyl-2-(methylamino)-N-(2-propylphenyl)benzamide
CID 62509909
3-bromo-2-chloro-N-(2-propylphenyl)benzamide
CID 103988574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide (CID 81226564) is 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide is CCCc1ccccc1NC(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide?
The InChIKey is LPWKSUJETKJQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-6-12-7-4-5-8-15(12)19-16(20)13-10-18-11(2)9-14(13)17/h4-5,7-10H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).