2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile

C19H23N5 — CID 70748738

IUPAC2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(c3nccn3CC3CC3)CC2)n1
InChIInChI=1S/C19H23N5/c1-14-2-5-17(12-20)19(22-14)23-9-6-16(7-10-23)18-21-8-11-24(18)13-15-3-4-15/h2,5,8,11,15-16H,3-4,6-7,9-10,13H2,1H3
InChIKeyWWEQKQUQCGQMHU-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.25
Rot. Bonds4

About 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 70748738) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID70748738
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(c3nccn3CC3CC3)CC2)n1
InChIInChI=1S/C19H23N5/c1-14-2-5-17(12-20)19(22-14)23-9-6-16(7-10-23)18-21-8-11-24(18)13-15-3-4-15/h2,5,8,11,15-16H,3-4,6-7,9-10,13H2,1H3
InChIKeyWWEQKQUQCGQMHU-UHFFFAOYSA-N
XLogP3.25
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 70748738) is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCC(c3nccn3CC3CC3)CC2)n1.
What is the InChIKey of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is WWEQKQUQCGQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-2-5-17(12-20)19(22-14)23-9-6-16(7-10-23)18-21-8-11-24(18)13-15-3-4-15/h2,5,8,11,15-16H,3-4,6-7,9-10,13H2,1H3.
What are the key properties of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 321.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 70748738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).