2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide

C13H12ClN3O — CID 14209972

IUPAC2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Cl)c(N)c1
InChIInChI=1S/C13H12ClN3O/c1-8-4-5-9(10(15)7-8)13(18)17-11-3-2-6-16-12(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyCSJBYVJJVYJMNF-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.88
Rot. Bonds2

About 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide

2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide (PubChem CID 14209972) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
PubChem CID14209972
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Cl)c(N)c1
InChIInChI=1S/C13H12ClN3O/c1-8-4-5-9(10(15)7-8)13(18)17-11-3-2-6-16-12(11)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyCSJBYVJJVYJMNF-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-amino-N-[2-(2-methoxyethyl)phenyl]-4-methylbenzamide
CID 102907951
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
The IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide (CID 14209972) is 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccnc2Cl)c(N)c1.
What is the InChIKey of 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
The InChIKey is CSJBYVJJVYJMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-4-5-9(10(15)7-8)13(18)17-11-3-2-6-16-12(11)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide?
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide 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-N-(2-chloro-3-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 14209972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).