3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine

C14H22ClN3 — CID 162371757

IUPAC3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine
SMILESCCC(C)Nc1ccc(Cl)nc1NC1CCCC1
InChIInChI=1S/C14H22ClN3/c1-3-10(2)16-12-8-9-13(15)18-14(12)17-11-6-4-5-7-11/h8-11,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyLHAFXLRLDPLJLQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.30
Rot. Bonds5

About 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine

3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine (PubChem CID 162371757) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine
PubChem CID162371757
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine
SMILESCCC(C)Nc1ccc(Cl)nc1NC1CCCC1
InChIInChI=1S/C14H22ClN3/c1-3-10(2)16-12-8-9-13(15)18-14(12)17-11-6-4-5-7-11/h8-11,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyLHAFXLRLDPLJLQ-UHFFFAOYSA-N
XLogP4.30
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-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

3-N-butan-2-yl-2-N-cyclopentyl-6-pentylpyridine-2,3-diamine
CID 155116919
[6-chloro-2-(cyclopentylamino)-3-pyridinyl]methanol
CID 155458622
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
CID 82460547
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
6-chloro-N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 63549430
6-chloro-2-N-(1-cyclopropylbutan-2-yl)pyridine-2,3-diamine
CID 115474196
6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine
CID 99838879
N-[4-(butan-2-ylamino)-6-chloro-3-pyridinyl]hydroxylamine
CID 144632925
N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234
6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide
CID 59830775

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine?
The IUPAC name of 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine (CID 162371757) is 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine is CCC(C)Nc1ccc(Cl)nc1NC1CCCC1.
What is the InChIKey of 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine?
The InChIKey is LHAFXLRLDPLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-10(2)16-12-8-9-13(15)18-14(12)17-11-6-4-5-7-11/h8-11,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine?
3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine has a molecular weight of 267.80 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-6-chloro-2-N-cyclopentylpyridine-2,3-diamine is sourced from PubChem (CID 162371757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).