4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide

C13H11ClN4O3 — CID 25161461

IUPAC4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cccnc1
InChIInChI=1S/C13H11ClN4O3/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(15)19)4-12(10)18(20)21/h1-6,17H,7H2,(H2,15,19)
InChIKeyJDBYILINKOTBAJ-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.35
Rot. Bonds5

About 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide

4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide (PubChem CID 25161461) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide
PubChem CID25161461
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cccnc1
InChIInChI=1S/C13H11ClN4O3/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(15)19)4-12(10)18(20)21/h1-6,17H,7H2,(H2,15,19)
InChIKeyJDBYILINKOTBAJ-UHFFFAOYSA-N
XLogP2.35
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.35
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

2-Chloro-5-nitro-N-4-pyridinylbenzamide
CID 2777391
5-Nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
CID 2906793
N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide
CID 755950
2-chloro-5-nitro-N-(pyridin-3-yl)benzamide
CID 765306
(E)-3-(4-chloro-3-nitrophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 6213986
2-chloro-5-nitro-N'-(3-pyridinylcarbonyl)benzohydrazide
CID 7021665
4-chloro-3-nitro-N-pyridin-3-ylbenzamide
CID 690121
N-(2-chloropyridin-3-yl)-5-methyl-2-nitrobenzamide
CID 3440161
4-chloro-2-nitro-N-(pyridin-3-yl)benzamide
CID 603617
5-Nitro-2-[(Pyridin-2-Ylmethyl)amino]benzamide
CID 25161454
N-(3-chloro-4-methylphenyl)-5-nitro-2-[(3-pyridinylmethyl)amino]benzamide
CID 2928992
5-Nitro-2-[(Pyrazin-2-Ylmethyl)amino]benzamide
CID 25161453

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide?
The IUPAC name of 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide (CID 25161461) is 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide.
What is the SMILES notation for 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide?
The canonical SMILES for 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide is NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cccnc1.
What is the InChIKey of 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide?
The InChIKey is JDBYILINKOTBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(15)19)4-12(10)18(20)21/h1-6,17H,7H2,(H2,15,19).
What are the key properties of 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide?
4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide has a molecular weight of 306.71 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-nitro-2-(pyridin-3-ylmethylamino)benzamide is sourced from PubChem (CID 25161461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).