2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide

C17H13ClN4O — CID 99612025

IUPAC2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc(Cl)n1
InChIInChI=1S/C17H13ClN4O/c1-11-7-13(8-15(18)21-11)17(23)22-14-9-19-16(20-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23)
InChIKeyFTMKPXDASJEYJJ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.75
Rot. Bonds3

About 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide

2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 99612025) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
PubChem CID99612025
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc(Cl)n1
InChIInChI=1S/C17H13ClN4O/c1-11-7-13(8-15(18)21-11)17(23)22-14-9-19-16(20-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23)
InChIKeyFTMKPXDASJEYJJ-UHFFFAOYSA-N
XLogP3.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.75
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-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 134009492
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
2,5-dimethyl-N-(2-phenylpyrimidin-5-yl)furan-3-carboxamide
CID 134009194
5-chloro-N-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 134009427
2-chloro-N-(4-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104954651
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide (CID 99612025) is 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide?
The InChIKey is FTMKPXDASJEYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-11-7-13(8-15(18)21-11)17(23)22-14-9-19-16(20-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,23).
What are the key properties of 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide?
2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 99612025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).