5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine

C15H18ClN3 — CID 104532088

IUPAC5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C15H18ClN3/c1-3-6-18-13-8-14(10-17-9-13)19-15-7-12(16)5-4-11(15)2/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeySMQPKJCZIWXUEE-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.61
Rot. Bonds5

About 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532088) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532088
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C15H18ClN3/c1-3-6-18-13-8-14(10-17-9-13)19-15-7-12(16)5-4-11(15)2/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeySMQPKJCZIWXUEE-UHFFFAOYSA-N
XLogP4.61
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine 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-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
N-(5-chloro-2-methylphenyl)pyridin-3-amine
CID 82536338
5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423741
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
CID 109240281
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine (CID 104532088) is 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is SMQPKJCZIWXUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-6-18-13-8-14(10-17-9-13)19-15-7-12(16)5-4-11(15)2/h4-5,7-10,18-19H,3,6H2,1-2H3.
What are the key properties of 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 275.78 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).