(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone

C21H27N3O4 — CID 109196398

IUPAC(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cc(Nc2ccc(C(=O)N3CCCC(C)C3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-14-6-5-9-24(13-14)21(25)17-8-7-15(12-22-17)23-16-10-18(26-2)20(28-4)19(11-16)27-3/h7-8,10-12,14,23H,5-6,9,13H2,1-4H3
InChIKeyKFNAJSFCXUTVEA-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.72
Rot. Bonds6

About (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone (PubChem CID 109196398) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
PubChem CID109196398
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cc(Nc2ccc(C(=O)N3CCCC(C)C3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-14-6-5-9-24(13-14)21(25)17-8-7-15(12-22-17)23-16-10-18(26-2)20(28-4)19(11-16)27-3/h7-8,10-12,14,23H,5-6,9,13H2,1-4H3
InChIKeyKFNAJSFCXUTVEA-UHFFFAOYSA-N
XLogP3.72
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone with MolForge

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Related Compounds

[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196414
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109194295
[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95050803
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone (CID 109196398) is (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone is COc1cc(Nc2ccc(C(=O)N3CCCC(C)C3)nc2)cc(OC)c1OC.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
The InChIKey is KFNAJSFCXUTVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-6-5-9-24(13-14)21(25)17-8-7-15(12-22-17)23-16-10-18(26-2)20(28-4)19(11-16)27-3/h7-8,10-12,14,23H,5-6,9,13H2,1-4H3.
What are the key properties of (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone has a molecular weight of 385.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109196398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).