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

C17H13N5O5 — CID 137108296

IUPAC5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccn2)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1O
InChIInChI=1S/C17H13N5O5/c18-15(24)13-14(23)17(25)21(16(20-13)12-3-1-2-8-19-12)9-10-4-6-11(7-5-10)22(26)27/h1-8,23H,9H2,(H2,18,24)
InChIKeyHLNZRPLGDHHKBD-UHFFFAOYSA-N
MW367.32 g/mol
LogP1.07
Rot. Bonds5

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

5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide (PubChem CID 137108296) has the molecular formula C17H13N5O5 and a molecular weight of 367.32 g/mol. Its IUPAC name is 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
PubChem CID137108296
Molecular FormulaC17H13N5O5
Molecular Weight367.32 g/mol
Exact Mass367.09
IUPAC Name5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccn2)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1O
InChIInChI=1S/C17H13N5O5/c18-15(24)13-14(23)17(25)21(16(20-13)12-3-1-2-8-19-12)9-10-4-6-11(7-5-10)22(26)27/h1-8,23H,9H2,(H2,18,24)
InChIKeyHLNZRPLGDHHKBD-UHFFFAOYSA-N
XLogP1.07
TPSA154.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol
CID 15099361
2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 23338590
4-[(4-nitrophenyl)methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 19010064
2-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
CID 1423711
2-[4-[(4-nitrophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetamide
CID 23459275
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620241
3-benzyl-8-methyl-2-(4-nitrophenyl)quinazolin-4-one
CID 175460263
4-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
CID 155545721
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
3-benzyl-2-methyl-6-nitroquinazolin-4-one
CID 1463484
(1R)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethanol
CID 673173
N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide
CID 76851115

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide (CID 137108296) is 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide is NC(=O)c1nc(-c2ccccn2)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1O.
What is the InChIKey of 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
The InChIKey is HLNZRPLGDHHKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O5/c18-15(24)13-14(23)17(25)21(16(20-13)12-3-1-2-8-19-12)9-10-4-6-11(7-5-10)22(26)27/h1-8,23H,9H2,(H2,18,24).
What are the key properties of 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide?
5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide has a molecular weight of 367.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(4-nitrophenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 137108296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).