5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile

C21H20N6O — CID 72937420

IUPAC5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cn1
InChIInChI=1S/C21H20N6O/c22-13-18-5-4-17(14-25-18)21(28)26-10-6-16(7-11-26)20-24-9-12-27(20)15-19-3-1-2-8-23-19/h1-5,8-9,12,14,16H,6-7,10-11,15H2
InChIKeyUXLQXVJHZFNJCL-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.61
Rot. Bonds4

About 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile

5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile (PubChem CID 72937420) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
PubChem CID72937420
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cn1
InChIInChI=1S/C21H20N6O/c22-13-18-5-4-17(14-25-18)21(28)26-10-6-16(7-11-26)20-24-9-12-27(20)15-19-3-1-2-8-23-19/h1-5,8-9,12,14,16H,6-7,10-11,15H2
InChIKeyUXLQXVJHZFNJCL-UHFFFAOYSA-N
XLogP2.61
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97155832
5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 166613705
5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 97285252
(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 72911781
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 72865254
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 134086412
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3860958
(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72909128

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile (CID 72937420) is 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile is N#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cn1.
What is the InChIKey of 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The InChIKey is UXLQXVJHZFNJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-13-18-5-4-17(14-25-18)21(28)26-10-6-16(7-11-26)20-24-9-12-27(20)15-19-3-1-2-8-23-19/h1-5,8-9,12,14,16H,6-7,10-11,15H2.
What are the key properties of 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?
5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 72937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).