6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine

C14H17ClN4 — CID 115474367

IUPAC6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine
SMILESCc1ccc(Nc2nc(Cl)ccc2N)cc1N(C)C
InChIInChI=1S/C14H17ClN4/c1-9-4-5-10(8-12(9)19(2)3)17-14-11(16)6-7-13(15)18-14/h4-8H,16H2,1-3H3,(H,17,18)
InChIKeyLSXSSFGJUHQNOX-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.44
Rot. Bonds3

About 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine

6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine (PubChem CID 115474367) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine
PubChem CID115474367
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine
SMILESCc1ccc(Nc2nc(Cl)ccc2N)cc1N(C)C
InChIInChI=1S/C14H17ClN4/c1-9-4-5-10(8-12(9)19(2)3)17-14-11(16)6-7-13(15)18-14/h4-8H,16H2,1-3H3,(H,17,18)
InChIKeyLSXSSFGJUHQNOX-UHFFFAOYSA-N
XLogP3.44
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-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

2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487
4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
3-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 115474055
2-N-[3-(dimethylamino)-4-methylphenyl]-6-ethoxypyridine-2,5-diamine
CID 115376297
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
CID 115376291
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
2-amino-4-[3-(dimethylamino)-4-methylanilino]benzonitrile
CID 115376212

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine (CID 115474367) is 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine is Cc1ccc(Nc2nc(Cl)ccc2N)cc1N(C)C.
What is the InChIKey of 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine?
The InChIKey is LSXSSFGJUHQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-4-5-10(8-12(9)19(2)3)17-14-11(16)6-7-13(15)18-14/h4-8H,16H2,1-3H3,(H,17,18).
What are the key properties of 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine?
6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[3-(dimethylamino)-4-methylphenyl]pyridine-2,3-diamine is sourced from PubChem (CID 115474367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).