N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide

C20H20N4O3 — CID 54679012

IUPACN-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cccnc3)n(C)c(=O)c2O)cc1C
InChIInChI=1S/C20H20N4O3/c1-12-6-7-14(9-13(12)2)10-22-19(26)16-17(25)20(27)24(3)18(23-16)15-5-4-8-21-11-15/h4-9,11,25H,10H2,1-3H3,(H,22,26)
InChIKeyGMBAYJMBZZBPGW-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.09
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide

N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide (PubChem CID 54679012) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide
PubChem CID54679012
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cccnc3)n(C)c(=O)c2O)cc1C
InChIInChI=1S/C20H20N4O3/c1-12-6-7-14(9-13(12)2)10-22-19(26)16-17(25)20(27)24(3)18(23-16)15-5-4-8-21-11-15/h4-9,11,25H,10H2,1-3H3,(H,22,26)
InChIKeyGMBAYJMBZZBPGW-UHFFFAOYSA-N
XLogP2.09
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54711752
5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 135442643
1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53125231
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712021
1-methyl-N-(naphthalen-2-ylmethyl)-6-oxo-2-phenyl-5-sulfanyloxypyrimidine-4-carboxamide
CID 89268568
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 54682023
2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54680245
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
N-[(3-chloro-4-methylphenyl)methyl]-2-[2-(1,1-dioxothiazinan-2-yl)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54691445
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
N-[(3,4-dimethylphenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-oxane]-2-carboxamide
CID 54713258

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide (CID 54679012) is N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3cccnc3)n(C)c(=O)c2O)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide?
The InChIKey is GMBAYJMBZZBPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-6-7-14(9-13(12)2)10-22-19(26)16-17(25)20(27)24(3)18(23-16)15-5-4-8-21-11-15/h4-9,11,25H,10H2,1-3H3,(H,22,26).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide?
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 54679012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).