5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile

C15H15N5O — CID 70749547

IUPAC5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCCC(c3ncc[nH]3)C2)cn1
InChIInChI=1S/C15H15N5O/c16-8-13-4-3-11(9-19-13)15(21)20-7-1-2-12(10-20)14-17-5-6-18-14/h3-6,9,12H,1-2,7,10H2,(H,17,18)
InChIKeyAKCSJYBJGUWXRT-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds2

About 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile

5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile (PubChem CID 70749547) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
PubChem CID70749547
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCCC(c3ncc[nH]3)C2)cn1
InChIInChI=1S/C15H15N5O/c16-8-13-4-3-11(9-19-13)15(21)20-7-1-2-12(10-20)14-17-5-6-18-14/h3-6,9,12H,1-2,7,10H2,(H,17,18)
InChIKeyAKCSJYBJGUWXRT-UHFFFAOYSA-N
XLogP1.70
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
5-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 95188082
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 167931525
5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 97285252
[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 163316198
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 124505736
5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 166613705
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile (CID 70749547) is 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile is N#Cc1ccc(C(=O)N2CCCC(c3ncc[nH]3)C2)cn1.
What is the InChIKey of 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile?
The InChIKey is AKCSJYBJGUWXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-8-13-4-3-11(9-19-13)15(21)20-7-1-2-12(10-20)14-17-5-6-18-14/h3-6,9,12H,1-2,7,10H2,(H,17,18).
What are the key properties of 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile?
5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 70749547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).