N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

C17H14N4O3 — CID 135602094

IUPACN-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H14N4O3/c22-14-13(16(23)19-10-11-6-2-1-3-7-11)20-15(21-17(14)24)12-8-4-5-9-18-12/h1-9,22H,10H2,(H,19,23)(H,20,21,24)
InChIKeyXYIHKPDIWXTFKR-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.47
Rot. Bonds4

About N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide

N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135602094) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135602094
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C17H14N4O3/c22-14-13(16(23)19-10-11-6-2-1-3-7-11)20-15(21-17(14)24)12-8-4-5-9-18-12/h1-9,22H,10H2,(H,19,23)(H,20,21,24)
InChIKeyXYIHKPDIWXTFKR-UHFFFAOYSA-N
XLogP1.47
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide (CID 135602094) is N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is XYIHKPDIWXTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-14-13(16(23)19-10-11-6-2-1-3-7-11)20-15(21-17(14)24)12-8-4-5-9-18-12/h1-9,22H,10H2,(H,19,23)(H,20,21,24).
What are the key properties of N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide?
N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135602094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).