3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine

C16H23N5 — CID 114720550

IUPAC3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine
SMILESCN(CCn1cncc1-c1cnccc1N)C1CCCC1
InChIInChI=1S/C16H23N5/c1-20(13-4-2-3-5-13)8-9-21-12-19-11-16(21)14-10-18-7-6-15(14)17/h6-7,10-13H,2-5,8-9H2,1H3,(H2,17,18)
InChIKeyKDBKKLKOMOCQJL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds5

About 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine

3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 114720550) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine
PubChem CID114720550
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine
SMILESCN(CCn1cncc1-c1cnccc1N)C1CCCC1
InChIInChI=1S/C16H23N5/c1-20(13-4-2-3-5-13)8-9-21-12-19-11-16(21)14-10-18-7-6-15(14)17/h6-7,10-13H,2-5,8-9H2,1H3,(H2,17,18)
InChIKeyKDBKKLKOMOCQJL-UHFFFAOYSA-N
XLogP2.40
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine (CID 114720550) is 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine is CN(CCn1cncc1-c1cnccc1N)C1CCCC1.
What is the InChIKey of 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is KDBKKLKOMOCQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20(13-4-2-3-5-13)8-9-21-12-19-11-16(21)14-10-18-7-6-15(14)17/h6-7,10-13H,2-5,8-9H2,1H3,(H2,17,18).
What are the key properties of 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114720550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).