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

C17H12ClFN4O3 — CID 135601940

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H12ClFN4O3/c18-10-7-9(4-5-11(10)19)8-21-16(25)13-14(24)17(26)23-15(22-13)12-3-1-2-6-20-12/h1-7,24H,8H2,(H,21,25)(H,22,23,26)
InChIKeyBHXURNUYEIUUQC-UHFFFAOYSA-N
MW374.76 g/mol
LogP2.26
Rot. Bonds4

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

N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135601940) has the molecular formula C17H12ClFN4O3 and a molecular weight of 374.76 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135601940
Molecular FormulaC17H12ClFN4O3
Molecular Weight374.76 g/mol
Exact Mass374.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H12ClFN4O3/c18-10-7-9(4-5-11(10)19)8-21-16(25)13-14(24)17(26)23-15(22-13)12-3-1-2-6-20-12/h1-7,24H,8H2,(H,21,25)(H,22,23,26)
InChIKeyBHXURNUYEIUUQC-UHFFFAOYSA-N
XLogP2.26
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601853
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601952
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 137037001
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-6-oxo-2-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 135601961
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 162060757
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(4-fluorophenyl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074210
1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 155950936

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 135601940) is N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is BHXURNUYEIUUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O3/c18-10-7-9(4-5-11(10)19)8-21-16(25)13-14(24)17(26)23-15(22-13)12-3-1-2-6-20-12/h1-7,24H,8H2,(H,21,25)(H,22,23,26).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 374.76 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).