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

C19H13ClN4O4 — CID 39188695

IUPACN-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccnc1
InChIInChI=1S/C19H13ClN4O4/c20-17-10-15(24(27)28)6-7-16(17)19(26)23-14-5-1-4-13(9-14)22-18(25)12-3-2-8-21-11-12/h1-11H,(H,22,25)(H,23,26)
InChIKeySMTYYFWTZROHBC-UHFFFAOYSA-N
MW396.79 g/mol
LogP4.15
Rot. Bonds5

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

N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 39188695) has the molecular formula C19H13ClN4O4 and a molecular weight of 396.79 g/mol. Its IUPAC name is N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID39188695
Molecular FormulaC19H13ClN4O4
Molecular Weight396.79 g/mol
Exact Mass396.06
IUPAC NameN-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccnc1
InChIInChI=1S/C19H13ClN4O4/c20-17-10-15(24(27)28)6-7-16(17)19(26)23-14-5-1-4-13(9-14)22-18(25)12-3-2-8-21-11-12/h1-11H,(H,22,25)(H,23,26)
InChIKeySMTYYFWTZROHBC-UHFFFAOYSA-N
XLogP4.15
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 54.15
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-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide
CID 2971157
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
CID 60581315
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide
CID 46424053
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-(4-benzamido-3-methylphenyl)-2-chloro-4-nitrobenzamide
CID 23737728
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide (CID 39188695) is N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccnc1.
What is the InChIKey of N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is SMTYYFWTZROHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O4/c20-17-10-15(24(27)28)6-7-16(17)19(26)23-14-5-1-4-13(9-14)22-18(25)12-3-2-8-21-11-12/h1-11H,(H,22,25)(H,23,26).
What are the key properties of N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide?
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 396.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39188695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).