6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide

C16H11ClN4O — CID 44634057

IUPAC6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(-c2cccc(Cl)c2)ncn1
InChIInChI=1S/C16H11ClN4O/c17-12-5-3-4-11(8-12)13-9-14(20-10-19-13)16(22)21-15-6-1-2-7-18-15/h1-10H,(H,18,21,22)
InChIKeyHTSNRZUFLHXBRS-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.44
Rot. Bonds3

About 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide

6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide (PubChem CID 44634057) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide
PubChem CID44634057
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(-c2cccc(Cl)c2)ncn1
InChIInChI=1S/C16H11ClN4O/c17-12-5-3-4-11(8-12)13-9-14(20-10-19-13)16(22)21-15-6-1-2-7-18-15/h1-10H,(H,18,21,22)
InChIKeyHTSNRZUFLHXBRS-UHFFFAOYSA-N
XLogP3.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 44634187
6-(3-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
CID 67218065
6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide
CID 123262355
6-(3-chlorophenyl)-N-[(1R)-1-phenylethyl]pyrimidine-4-carboxamide
CID 44634188
5-phenyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 110683613
bis(1-[6-(3-chlorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylethanone);hydrochloride
CID 160624132
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 5031722
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide (CID 44634057) is 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide is O=C(Nc1ccccn1)c1cc(-c2cccc(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide?
The InChIKey is HTSNRZUFLHXBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-12-5-3-4-11(8-12)13-9-14(20-10-19-13)16(22)21-15-6-1-2-7-18-15/h1-10H,(H,18,21,22).
What are the key properties of 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide?
6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 44634057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).