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

C20H25N3O3 — CID 109175732

IUPAC[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)ccn2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-14-5-4-10-23(13-14)20(24)15-8-9-21-19(11-15)22-16-6-7-17(25-2)18(12-16)26-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,21,22)
InChIKeyHPAJXYSQTOHIDP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.71
Rot. Bonds5

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

[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109175732) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109175732
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)ccn2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-14-5-4-10-23(13-14)20(24)15-8-9-21-19(11-15)22-16-6-7-17(25-2)18(12-16)26-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,21,22)
InChIKeyHPAJXYSQTOHIDP-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

[2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173925
(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175729
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644
[4-(3,4-dimethoxyanilino)-6,7-dimethoxyquinolin-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95050803
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109174945
[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175751
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109175732) is [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(Nc2cc(C(=O)N3CCCC(C)C3)ccn2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HPAJXYSQTOHIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-5-4-10-23(13-14)20(24)15-8-9-21-19(11-15)22-16-6-7-17(25-2)18(12-16)26-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,21,22).
What are the key properties of [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-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 [2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109175732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).