N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide

C19H14N4O5 — CID 78673833

IUPACN-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)
InChIKeyQFXQBOSIGGGQEW-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.20
Rot. Bonds5

About N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide

N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 78673833) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide
PubChem CID78673833
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC NameN-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)
InChIKeyQFXQBOSIGGGQEW-UHFFFAOYSA-N
XLogP3.20
TPSA134.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide (CID 78673833) is N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is QFXQBOSIGGGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26).
What are the key properties of N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide?
N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide has a molecular weight of 378.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 78673833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).