4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C17H15ClN4O2 — CID 23935403

IUPAC4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C17H15ClN4O2/c1-10-14(16(23)21-13-4-2-3-9-19-13)15(22-17(24)20-10)11-5-7-12(18)8-6-11/h2-9,15H,1H3,(H,19,21,23)(H2,20,22,24)
InChIKeySZXOQYUFYBLYSV-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.00
Rot. Bonds3

About 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 23935403) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID23935403
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C17H15ClN4O2/c1-10-14(16(23)21-13-4-2-3-9-19-13)15(22-17(24)20-10)11-5-7-12(18)8-6-11/h2-9,15H,1H3,(H,19,21,23)(H2,20,22,24)
InChIKeySZXOQYUFYBLYSV-UHFFFAOYSA-N
XLogP3.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1068666
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
6-methyl-4-phenyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3295721
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349
(4R)-4-(4-chlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230529
(4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430706
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2861522
(4R)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430707
(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408269
(4R)-N-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1083615
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(4S)-4-(4-tert-butylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7798160

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 23935403) is 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccc(Cl)cc2)NC(=O)N1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is SZXOQYUFYBLYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-14(16(23)21-13-4-2-3-9-19-13)15(22-17(24)20-10)11-5-7-12(18)8-6-11/h2-9,15H,1H3,(H,19,21,23)(H2,20,22,24).
What are the key properties of 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 23935403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).