N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H19ClN6O2 — CID 155950978

IUPACN-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccc(-n3cncn3)c(C)c2)NC(=O)N1
InChIInChI=1S/C21H19ClN6O2/c1-12-8-14(6-7-17(12)28-11-23-10-24-28)19-18(13(2)25-21(30)27-19)20(29)26-16-5-3-4-15(22)9-16/h3-11,19H,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyJLBCHXILQOWVKX-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.50
Rot. Bonds4

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

N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 155950978) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID155950978
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC NameN-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccc(-n3cncn3)c(C)c2)NC(=O)N1
InChIInChI=1S/C21H19ClN6O2/c1-12-8-14(6-7-17(12)28-11-23-10-24-28)19-18(13(2)25-21(30)27-19)20(29)26-16-5-3-4-15(22)9-16/h3-11,19H,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyJLBCHXILQOWVKX-UHFFFAOYSA-N
XLogP3.50
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(4S)-N-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124503
(4S)-N-(3-chlorophenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124297
(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8812872
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11418542
N,4-bis(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3131735
(4S)-4-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989757
4-(3-chlorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11280490
(4R)-4-(4-chlorophenyl)-6-methyl-N-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7721784
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbothioamide
CID 82018049
4-(4-bromophenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3108021
(4R)-4-(4-chloro-3-nitrophenyl)-6-methyl-N-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25400305

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 155950978) is N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccc(-n3cncn3)c(C)c2)NC(=O)N1.
What is the InChIKey of N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is JLBCHXILQOWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-12-8-14(6-7-17(12)28-11-23-10-24-28)19-18(13(2)25-21(30)27-19)20(29)26-16-5-3-4-15(22)9-16/h3-11,19H,1-2H3,(H,26,29)(H2,25,27,30).
What are the key properties of N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 422.88 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methyl-4-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 155950978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).