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

C19H14N4O4 — CID 39679512

IUPACN-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C19H14N4O4/c24-18(13-5-4-10-20-12-13)21-14-6-3-7-15(11-14)22-19(25)16-8-1-2-9-17(16)23(26)27/h1-12H,(H,21,24)(H,22,25)
InChIKeyWUENOXRBVSLTPY-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.49
Rot. Bonds5

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

N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 39679512) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID39679512
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC NameN-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C19H14N4O4/c24-18(13-5-4-10-20-12-13)21-14-6-3-7-15(11-14)22-19(25)16-8-1-2-9-17(16)23(26)27/h1-12H,(H,21,24)(H,22,25)
InChIKeyWUENOXRBVSLTPY-UHFFFAOYSA-N
XLogP3.49
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide
CID 2971157
2-nitro-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 883119
2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154668
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
4-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]-3,5-dinitrobenzamide
CID 171982729
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide (CID 39679512) is N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1cccnc1.
What is the InChIKey of N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is WUENOXRBVSLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-18(13-5-4-10-20-12-13)21-14-6-3-7-15(11-14)22-19(25)16-8-1-2-9-17(16)23(26)27/h1-12H,(H,21,24)(H,22,25).
What are the key properties of N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39679512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).