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

C19H18N4O3 — CID 135442643

IUPAC5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccccn3)n(C)c(=O)c2O)cc1
InChIInChI=1S/C19H18N4O3/c1-12-6-8-13(9-7-12)11-21-18(25)15-16(24)19(26)23(2)17(22-15)14-5-3-4-10-20-14/h3-10,24H,11H2,1-2H3,(H,21,25)
InChIKeyDKAQJMWCRPJJLV-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.79
Rot. Bonds4

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

5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide (PubChem CID 135442643) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
PubChem CID135442643
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3ccccn3)n(C)c(=O)c2O)cc1
InChIInChI=1S/C19H18N4O3/c1-12-6-8-13(9-7-12)11-21-18(25)15-16(24)19(26)23(2)17(22-15)14-5-3-4-10-20-14/h3-10,24H,11H2,1-2H3,(H,21,25)
InChIKeyDKAQJMWCRPJJLV-UHFFFAOYSA-N
XLogP1.79
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 146664900
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54711752
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide
CID 54679012
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712021
2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54680245
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
2-(2-benzamidopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 122610194
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]pyrimidine-4-carboxamide
CID 54712010
2-(2,6-difluorophenyl)-5-hydroxy-1-methyl-N-[(2-methylsulfanylphenyl)methyl]-6-oxopyrimidine-4-carboxamide
CID 54676258
3-hydroxy-9,9-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717556
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide (CID 135442643) is 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3ccccn3)n(C)c(=O)c2O)cc1.
What is the InChIKey of 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
The InChIKey is DKAQJMWCRPJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-6-8-13(9-7-12)11-21-18(25)15-16(24)19(26)23(2)17(22-15)14-5-3-4-10-20-14/h3-10,24H,11H2,1-2H3,(H,21,25).
What are the key properties of 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 135442643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).