[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H25N3O3 — CID 109152644

IUPAC[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-14-8-10-23(11-9-14)20(24)15-4-7-19(21-13-15)22-16-5-6-17(25-2)18(12-16)26-3/h4-7,12-14H,8-11H2,1-3H3,(H,21,22)
InChIKeyLUUZNXCTMFKTOD-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.71
Rot. Bonds5

About [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109152644) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109152644
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-14-8-10-23(11-9-14)20(24)15-4-7-19(21-13-15)22-16-5-6-17(25-2)18(12-16)26-3/h4-7,12-14H,8-11H2,1-3H3,(H,21,22)
InChIKeyLUUZNXCTMFKTOD-UHFFFAOYSA-N
XLogP3.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103257
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
1-[4-[2-(3,4-dimethoxyanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254702
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152635
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109152644) is [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)cc1OC.
What is the InChIKey of [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LUUZNXCTMFKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-8-10-23(11-9-14)20(24)15-4-7-19(21-13-15)22-16-5-6-17(25-2)18(12-16)26-3/h4-7,12-14H,8-11H2,1-3H3,(H,21,22).
What are the key properties of [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109152644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).