4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine

C15H18N4 — CID 155102612

IUPAC4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine
SMILESNc1nc(-c2cccnc2)cc(C2CCCC2)c1N
InChIInChI=1S/C15H18N4/c16-14-12(10-4-1-2-5-10)8-13(19-15(14)17)11-6-3-7-18-9-11/h3,6-10H,1-2,4-5,16H2,(H2,17,19)
InChIKeyXBFRQFVFZUPOFF-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.97
Rot. Bonds2

About 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine

4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine (PubChem CID 155102612) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine
PubChem CID155102612
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine
SMILESNc1nc(-c2cccnc2)cc(C2CCCC2)c1N
InChIInChI=1S/C15H18N4/c16-14-12(10-4-1-2-5-10)8-13(19-15(14)17)11-6-3-7-18-9-11/h3,6-10H,1-2,4-5,16H2,(H2,17,19)
InChIKeyXBFRQFVFZUPOFF-UHFFFAOYSA-N
XLogP2.97
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine?
The IUPAC name of 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine (CID 155102612) is 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine.
What is the SMILES notation for 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine?
The canonical SMILES for 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine is Nc1nc(-c2cccnc2)cc(C2CCCC2)c1N.
What is the InChIKey of 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine?
The InChIKey is XBFRQFVFZUPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-14-12(10-4-1-2-5-10)8-13(19-15(14)17)11-6-3-7-18-9-11/h3,6-10H,1-2,4-5,16H2,(H2,17,19).
What are the key properties of 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine?
4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine is sourced from PubChem (CID 155102612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).