6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide

C17H11ClN4O3 — CID 146525540

IUPAC6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)nc1
InChIInChI=1S/C17H11ClN4O3/c18-15-9-6-12(10-19-15)17(23)21-16-14(22(24)25)8-7-13(20-16)11-4-2-1-3-5-11/h1-10H,(H,20,21,23)
InChIKeyUCMBWEUEYQBDGX-UHFFFAOYSA-N
MW354.75 g/mol
LogP3.96
Rot. Bonds4

About 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide

6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525540) has the molecular formula C17H11ClN4O3 and a molecular weight of 354.75 g/mol. Its IUPAC name is 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID146525540
Molecular FormulaC17H11ClN4O3
Molecular Weight354.75 g/mol
Exact Mass354.05
IUPAC Name6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)nc1
InChIInChI=1S/C17H11ClN4O3/c18-15-9-6-12(10-19-15)17(23)21-16-14(22(24)25)8-7-13(20-16)11-4-2-1-3-5-11/h1-10H,(H,20,21,23)
InChIKeyUCMBWEUEYQBDGX-UHFFFAOYSA-N
XLogP3.96
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
CID 86248819
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375
ethane;methyl 4-[(3-nitro-6-phenyl-2-pyridinyl)amino]benzoate
CID 171069091
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide (CID 146525540) is 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide is O=C(Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is UCMBWEUEYQBDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O3/c18-15-9-6-12(10-19-15)17(23)21-16-14(22(24)25)8-7-13(20-16)11-4-2-1-3-5-11/h1-10H,(H,20,21,23).
What are the key properties of 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide?
6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 354.75 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).