pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H21N5O — CID 72888310

IUPACpyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCC(c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C20H21N5O/c26-20(18-5-1-2-8-22-18)25-12-3-4-17(15-25)19-23-11-13-24(19)14-16-6-9-21-10-7-16/h1-2,5-11,13,17H,3-4,12,14-15H2
InChIKeyFJEQCSJDXCMZOM-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.74
Rot. Bonds4

About pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72888310) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72888310
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Namepyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCCC(c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C20H21N5O/c26-20(18-5-1-2-8-22-18)25-12-3-4-17(15-25)19-23-11-13-24(19)14-16-6-9-21-10-7-16/h1-2,5-11,13,17H,3-4,12,14-15H2
InChIKeyFJEQCSJDXCMZOM-UHFFFAOYSA-N
XLogP2.74
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72888310) is pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccccn1)N1CCCC(c2nccn2Cc2ccncc2)C1.
What is the InChIKey of pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is FJEQCSJDXCMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(18-5-1-2-8-22-18)25-12-3-4-17(15-25)19-23-11-13-24(19)14-16-6-9-21-10-7-16/h1-2,5-11,13,17H,3-4,12,14-15H2.
What are the key properties of pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72888310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).