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

C19H18N4O3 — CID 135601853

IUPACN-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(-c3ccccn3)[nH]c(=O)c2O)c1C
InChIInChI=1S/C19H18N4O3/c1-11-6-5-7-13(12(11)2)10-21-18(25)15-16(24)19(26)23-17(22-15)14-8-3-4-9-20-14/h3-9,24H,10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyFWUBUWAPGGUPEA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.08
Rot. Bonds4

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

N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135601853) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135601853
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(-c3ccccn3)[nH]c(=O)c2O)c1C
InChIInChI=1S/C19H18N4O3/c1-11-6-5-7-13(12(11)2)10-21-18(25)15-16(24)19(26)23-17(22-15)14-8-3-4-9-20-14/h3-9,24H,10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyFWUBUWAPGGUPEA-UHFFFAOYSA-N
XLogP2.08
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 135601853) is N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2nc(-c3ccccn3)[nH]c(=O)c2O)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is FWUBUWAPGGUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-6-5-7-13(12(11)2)10-21-18(25)15-16(24)19(26)23-17(22-15)14-8-3-4-9-20-14/h3-9,24H,10H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).