(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H23N5O — CID 72923628

IUPAC(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)cn1
InChIInChI=1S/C21H23N5O/c1-16-6-7-18(13-24-16)21(27)26-10-3-5-19(15-26)20-23-9-11-25(20)14-17-4-2-8-22-12-17/h2,4,6-9,11-13,19H,3,5,10,14-15H2,1H3
InChIKeyLHCVQEHTJKSVBU-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.05
Rot. Bonds4

About (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72923628) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72923628
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)cn1
InChIInChI=1S/C21H23N5O/c1-16-6-7-18(13-24-16)21(27)26-10-3-5-19(15-26)20-23-9-11-25(20)14-17-4-2-8-22-12-17/h2,4,6-9,11-13,19H,3,5,10,14-15H2,1H3
InChIKeyLHCVQEHTJKSVBU-UHFFFAOYSA-N
XLogP3.05
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97131283
[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 72938457
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97197914
(2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72886278
(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97194429
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97210805
(1-ethyl-3-methylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205511
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 96577048
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97208620

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72923628) is (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LHCVQEHTJKSVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-6-7-18(13-24-16)21(27)26-10-3-5-19(15-26)20-23-9-11-25(20)14-17-4-2-8-22-12-17/h2,4,6-9,11-13,19H,3,5,10,14-15H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72923628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).