4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide

C17H13N5O3 — CID 157043653

IUPAC4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccncc2)n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H13N5O3/c23-17(12-4-6-14(7-5-12)22(24)25)21-16-3-1-2-15(20-16)19-13-8-10-18-11-9-13/h1-11H,(H2,18,19,20,21,23)
InChIKeyXOEDJWOUKKGXHS-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.38
Rot. Bonds5

About 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide

4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide (PubChem CID 157043653) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide
PubChem CID157043653
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccncc2)n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H13N5O3/c23-17(12-4-6-14(7-5-12)22(24)25)21-16-3-1-2-15(20-16)19-13-8-10-18-11-9-13/h1-11H,(H2,18,19,20,21,23)
InChIKeyXOEDJWOUKKGXHS-UHFFFAOYSA-N
XLogP3.38
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
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'}

Analyze 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide 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

4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide
CID 2798206
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
ethane;4-nitro-N-(4-pyridin-4-ylsulfanylphenyl)benzamide
CID 143657426
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
The IUPAC name of 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide (CID 157043653) is 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide is O=C(Nc1cccc(Nc2ccncc2)n1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
The InChIKey is XOEDJWOUKKGXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-17(12-4-6-14(7-5-12)22(24)25)21-16-3-1-2-15(20-16)19-13-8-10-18-11-9-13/h1-11H,(H2,18,19,20,21,23).
What are the key properties of 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide has a molecular weight of 335.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 157043653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).