5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide

C14H14ClN3O — CID 102705824

IUPAC5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccnc(Cl)c2)cc1N
InChIInChI=1S/C14H14ClN3O/c1-8-5-9(2)12(16)7-11(8)14(19)18-10-3-4-17-13(15)6-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyFFGPGVSJCQGQNQ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.19
Rot. Bonds2

About 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide

5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide (PubChem CID 102705824) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
PubChem CID102705824
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccnc(Cl)c2)cc1N
InChIInChI=1S/C14H14ClN3O/c1-8-5-9(2)12(16)7-11(8)14(19)18-10-3-4-17-13(15)6-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyFFGPGVSJCQGQNQ-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.19
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'}

Analyze 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107185676
N-(2-chloro-4-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 114053486
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide
CID 102704818
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide (CID 102705824) is 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccnc(Cl)c2)cc1N.
What is the InChIKey of 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide?
The InChIKey is FFGPGVSJCQGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-5-9(2)12(16)7-11(8)14(19)18-10-3-4-17-13(15)6-10/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide?
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide has a molecular weight of 275.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).