[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone

C19H23N3O3 — CID 1431769

IUPAC[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Nc2ncccc2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-24-16-9-8-14(13-17(16)25-2)21-18-15(7-6-10-20-18)19(23)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,20,21)
InChIKeyGKXGIEGAKRBRNF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.47
Rot. Bonds5

About [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone

[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 1431769) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID1431769
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Nc2ncccc2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-24-16-9-8-14(13-17(16)25-2)21-18-15(7-6-10-20-18)19(23)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,20,21)
InChIKeyGKXGIEGAKRBRNF-UHFFFAOYSA-N
XLogP3.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1441003
[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321853
[2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone
CID 119400835
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 38209532
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 1431769) is [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone is COc1ccc(Nc2ncccc2C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is GKXGIEGAKRBRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-16-9-8-14(13-17(16)25-2)21-18-15(7-6-10-20-18)19(23)22-11-4-3-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,20,21).
What are the key properties of [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1431769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).