4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide

C18H14N4O3 — CID 59458005

IUPAC4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14N4O3/c23-18(13-4-6-17(7-5-13)22(24)25)21-16-3-1-2-15(12-16)20-14-8-10-19-11-9-14/h1-12H,(H,19,20)(H,21,23)
InChIKeyNBWPGXUSAWRPJK-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.99
Rot. Bonds5

About 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide

4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide (PubChem CID 59458005) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
PubChem CID59458005
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14N4O3/c23-18(13-4-6-17(7-5-13)22(24)25)21-16-3-1-2-15(12-16)20-14-8-10-19-11-9-14/h1-12H,(H,19,20)(H,21,23)
InChIKeyNBWPGXUSAWRPJK-UHFFFAOYSA-N
XLogP3.99
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.99
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

4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157043653
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
4-nitro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262446
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The IUPAC name of 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide (CID 59458005) is 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide is O=C(Nc1cccc(Nc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The InChIKey is NBWPGXUSAWRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18(13-4-6-17(7-5-13)22(24)25)21-16-3-1-2-15(12-16)20-14-8-10-19-11-9-14/h1-12H,(H,19,20)(H,21,23).
What are the key properties of 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide has a molecular weight of 334.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 59458005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).