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

C17H13FN4O3 — CID 135446352

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H13FN4O3/c18-11-6-4-10(5-7-11)9-20-16(24)13-14(23)17(25)22-15(21-13)12-3-1-2-8-19-12/h1-8,23H,9H2,(H,20,24)(H,21,22,25)
InChIKeyWRKSGPVYRPHZKM-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.61
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135446352) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135446352
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H13FN4O3/c18-11-6-4-10(5-7-11)9-20-16(24)13-14(23)17(25)22-15(21-13)12-3-1-2-8-19-12/h1-8,23H,9H2,(H,20,24)(H,21,22,25)
InChIKeyWRKSGPVYRPHZKM-UHFFFAOYSA-N
XLogP1.61
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 135446352) is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is WRKSGPVYRPHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-11-6-4-10(5-7-11)9-20-16(24)13-14(23)17(25)22-15(21-13)12-3-1-2-8-19-12/h1-8,23H,9H2,(H,20,24)(H,21,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).