2-amino-3-(pyridin-4-ylmethylamino)benzamide

C13H14N4O — CID 115544647

IUPAC2-amino-3-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccncc2)c1N
InChIInChI=1S/C13H14N4O/c14-12-10(13(15)18)2-1-3-11(12)17-8-9-4-6-16-7-5-9/h1-7,17H,8,14H2,(H2,15,18)
InChIKeyZVZTTXKHWVYSQS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-3-(pyridin-4-ylmethylamino)benzamide

2-amino-3-(pyridin-4-ylmethylamino)benzamide (PubChem CID 115544647) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-3-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(pyridin-4-ylmethylamino)benzamide
PubChem CID115544647
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-3-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccncc2)c1N
InChIInChI=1S/C13H14N4O/c14-12-10(13(15)18)2-1-3-11(12)17-8-9-4-6-16-7-5-9/h1-7,17H,8,14H2,(H2,15,18)
InChIKeyZVZTTXKHWVYSQS-UHFFFAOYSA-N
XLogP1.37
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
methyl 2-methyl-3-(pyridin-4-ylmethylamino)benzoate
CID 43714414
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
2-amino-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 115544478
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
CID 106407353
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
methyl 2-amino-3-[(4-ethylphenyl)methylamino]benzoate
CID 106900672
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
CID 91071106

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 2-amino-3-(pyridin-4-ylmethylamino)benzamide (CID 115544647) is 2-amino-3-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-amino-3-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 2-amino-3-(pyridin-4-ylmethylamino)benzamide is NC(=O)c1cccc(NCc2ccncc2)c1N.
What is the InChIKey of 2-amino-3-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is ZVZTTXKHWVYSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-12-10(13(15)18)2-1-3-11(12)17-8-9-4-6-16-7-5-9/h1-7,17H,8,14H2,(H2,15,18).
What are the key properties of 2-amino-3-(pyridin-4-ylmethylamino)benzamide?
2-amino-3-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 115544647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).