2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile

C14H15N5 — CID 133279853

IUPAC2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(n2ccnc2)CC1
InChIInChI=1S/C14H15N5/c15-10-12-2-1-5-17-14(12)18-7-3-13(4-8-18)19-9-6-16-11-19/h1-2,5-6,9,11,13H,3-4,7-8H2
InChIKeyNUQDMKWXRUYMSB-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.99
Rot. Bonds2

About 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile

2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 133279853) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID133279853
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(n2ccnc2)CC1
InChIInChI=1S/C14H15N5/c15-10-12-2-1-5-17-14(12)18-7-3-13(4-8-18)19-9-6-16-11-19/h1-2,5-6,9,11,13H,3-4,7-8H2
InChIKeyNUQDMKWXRUYMSB-UHFFFAOYSA-N
XLogP1.99
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
CID 133279857
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 166209187
2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56877761
3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile
CID 166371430
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile (CID 133279853) is 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(n2ccnc2)CC1.
What is the InChIKey of 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is NUQDMKWXRUYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-10-12-2-1-5-17-14(12)18-7-3-13(4-8-18)19-9-6-16-11-19/h1-2,5-6,9,11,13H,3-4,7-8H2.
What are the key properties of 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile?
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 133279853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).