2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide

C13H12ClN3O — CID 113331765

IUPAC2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H12ClN3O/c1-8-7-16-6-5-11(8)17-13(18)9-3-2-4-10(14)12(9)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyHZTCHXJCQPJIDA-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide

2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide (PubChem CID 113331765) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide
PubChem CID113331765
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H12ClN3O/c1-8-7-16-6-5-11(8)17-13(18)9-3-2-4-10(14)12(9)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyHZTCHXJCQPJIDA-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 63669500
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
3-fluoro-2-hydrazinyl-N-(3-methyl-4-pyridinyl)benzamide
CID 63671738
2-amino-3-chloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 103584339
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
2-amino-3-chloro-N-pyrimidin-4-ylbenzamide
CID 82547270
3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
CID 112576138

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide (CID 113331765) is 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide is Cc1cnccc1NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is HZTCHXJCQPJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-7-16-6-5-11(8)17-13(18)9-3-2-4-10(14)12(9)15/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide?
2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 261.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 113331765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).