4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine

C17H21N3 — CID 155102511

IUPAC4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(-c2cc(C3CCCC3)c(N)c(N)n2)cc1
InChIInChI=1S/C17H21N3/c1-11-6-8-13(9-7-11)15-10-14(12-4-2-3-5-12)16(18)17(19)20-15/h6-10,12H,2-5,18H2,1H3,(H2,19,20)
InChIKeyQOJMONXCHAKYMI-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.88
Rot. Bonds2

About 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine

4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine (PubChem CID 155102511) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine
PubChem CID155102511
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(-c2cc(C3CCCC3)c(N)c(N)n2)cc1
InChIInChI=1S/C17H21N3/c1-11-6-8-13(9-7-11)15-10-14(12-4-2-3-5-12)16(18)17(19)20-15/h6-10,12H,2-5,18H2,1H3,(H2,19,20)
InChIKeyQOJMONXCHAKYMI-UHFFFAOYSA-N
XLogP3.88
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine
CID 155102612
5-cyclopentyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829082
5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829434
2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine
CID 62223130
4-(4-cyclohexyl-6-methylpyrimidin-2-yl)aniline
CID 63319227
4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63867173
5-cyclohexyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 82106576
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 91570843
6-cyclopentyl-5-(4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 91294249
5-cycloheptyl-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 63524691
2-cyclohexyl-7-(4-methylphenyl)-5-phenyl-1H-imidazo[4,5-b]pyridine
CID 25108942

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine (CID 155102511) is 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine is Cc1ccc(-c2cc(C3CCCC3)c(N)c(N)n2)cc1.
What is the InChIKey of 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine?
The InChIKey is QOJMONXCHAKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11-6-8-13(9-7-11)15-10-14(12-4-2-3-5-12)16(18)17(19)20-15/h6-10,12H,2-5,18H2,1H3,(H2,19,20).
What are the key properties of 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine?
4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine has a molecular weight of 267.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 155102511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).