(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone

C17H19N3O — CID 110681807

IUPAC(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3ccccn3)nc2)CC1
InChIInChI=1S/C17H19N3O/c1-13-7-10-20(11-8-13)17(21)14-5-6-16(19-12-14)15-4-2-3-9-18-15/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyPSRGWYCRVJCGBF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone

(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone (PubChem CID 110681807) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
PubChem CID110681807
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3ccccn3)nc2)CC1
InChIInChI=1S/C17H19N3O/c1-13-7-10-20(11-8-13)17(21)14-5-6-16(19-12-14)15-4-2-3-9-18-15/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyPSRGWYCRVJCGBF-UHFFFAOYSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 126817379
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone (CID 110681807) is (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone is CC1CCN(C(=O)c2ccc(-c3ccccn3)nc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone?
The InChIKey is PSRGWYCRVJCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-7-10-20(11-8-13)17(21)14-5-6-16(19-12-14)15-4-2-3-9-18-15/h2-6,9,12-13H,7-8,10-11H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone?
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110681807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).