N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

C20H18ClN3O3 — CID 135601952

IUPACN-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccccc3C)[nH]c(=O)c2O)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-11-5-3-4-6-14(11)18-23-16(17(25)20(27)24-18)19(26)22-10-13-8-7-12(2)15(21)9-13/h3-9,25H,10H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyQUELRNRIPDKSNP-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.34
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135601952) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135601952
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccccc3C)[nH]c(=O)c2O)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-11-5-3-4-6-14(11)18-23-16(17(25)20(27)24-18)19(26)22-10-13-8-7-12(2)15(21)9-13/h3-9,25H,10H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyQUELRNRIPDKSNP-UHFFFAOYSA-N
XLogP3.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-6-oxo-2-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 135601961
2-(1,3-benzodioxol-5-ylmethyl)-N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135971656
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601940
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 135601924
5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601762
N-[(3-chloro-4-methylphenyl)methyl]-2-[2-(1,1-dioxothiazinan-2-yl)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54691445
4-[[2-[4-(benzylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]phenyl]carbamoyl]piperidine-1-carboxylic acid
CID 136630717
5-hydroxy-N-[(2-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601735
N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601853
2-benzyl-N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601654
[2-[4-(benzylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]thiophen-3-yl]carbamic acid
CID 136647639
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54683246

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 135601952) is N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3ccccc3C)[nH]c(=O)c2O)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QUELRNRIPDKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-11-5-3-4-6-14(11)18-23-16(17(25)20(27)24-18)19(26)22-10-13-8-7-12(2)15(21)9-13/h3-9,25H,10H2,1-2H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).