6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

C20H20N6 — CID 72852375

IUPAC6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3nccn3Cc3ccncc3)CC2)nc1
InChIInChI=1S/C20H20N6/c21-13-17-1-2-19(24-14-17)25-10-5-18(6-11-25)20-23-9-12-26(20)15-16-3-7-22-8-4-16/h1-4,7-9,12,14,18H,5-6,10-11,15H2
InChIKeyDFTXFCIFQZYZMK-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.98
Rot. Bonds4

About 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 72852375) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID72852375
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3nccn3Cc3ccncc3)CC2)nc1
InChIInChI=1S/C20H20N6/c21-13-17-1-2-19(24-14-17)25-10-5-18(6-11-25)20-23-9-12-26(20)15-16-3-7-22-8-4-16/h1-4,7-9,12,14,18H,5-6,10-11,15H2
InChIKeyDFTXFCIFQZYZMK-UHFFFAOYSA-N
XLogP2.98
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-[(2-cyclopropylimidazol-1-yl)methyl]benzonitrile
CID 82561564
4-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridin-2-amine
CID 72930498
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
CID 154899926
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70725155
N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 72852570
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 163343768
5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 72839692
[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72876467

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 72852375) is 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(c3nccn3Cc3ccncc3)CC2)nc1.
What is the InChIKey of 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DFTXFCIFQZYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c21-13-17-1-2-19(24-14-17)25-10-5-18(6-11-25)20-23-9-12-26(20)15-16-3-7-22-8-4-16/h1-4,7-9,12,14,18H,5-6,10-11,15H2.
What are the key properties of 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 72852375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).