2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide

C17H13ClN4O2 — CID 108786175

IUPAC2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H13ClN4O2/c18-13-5-3-12(4-6-13)15-20-10-14(17(24)22-15)16(23)21-9-11-2-1-7-19-8-11/h1-8,10H,9H2,(H,21,23)(H,20,22,24)
InChIKeyMRPPMJOLYXFTTO-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 108786175) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID108786175
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H13ClN4O2/c18-13-5-3-12(4-6-13)15-20-10-14(17(24)22-15)16(23)21-9-11-2-1-7-19-8-11/h1-8,10H,9H2,(H,21,23)(H,20,22,24)
InChIKeyMRPPMJOLYXFTTO-UHFFFAOYSA-N
XLogP2.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72881111
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786174
5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 125490402
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
trans-(1S,2R)-2-[[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108809612
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-methylbutanoic acid
CID 108799274

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 108786175) is 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NCc1cccnc1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is MRPPMJOLYXFTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-13-5-3-12(4-6-13)15-20-10-14(17(24)22-15)16(23)21-9-11-2-1-7-19-8-11/h1-8,10H,9H2,(H,21,23)(H,20,22,24).
What are the key properties of 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).