[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C20H25N3O — CID 109196331

IUPAC[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccccc1Nc1ccc(C(=O)N2CCCC(C)C2)nc1
InChIInChI=1S/C20H25N3O/c1-3-16-8-4-5-9-18(16)22-17-10-11-19(21-13-17)20(24)23-12-6-7-15(2)14-23/h4-5,8-11,13,15,22H,3,6-7,12,14H2,1-2H3
InChIKeyYGIWWDNYGBIYCF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.26
Rot. Bonds4

About [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109196331) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109196331
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccccc1Nc1ccc(C(=O)N2CCCC(C)C2)nc1
InChIInChI=1S/C20H25N3O/c1-3-16-8-4-5-9-18(16)22-17-10-11-19(21-13-17)20(24)23-12-6-7-15(2)14-23/h4-5,8-11,13,15,22H,3,6-7,12,14H2,1-2H3
InChIKeyYGIWWDNYGBIYCF-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(2-ethylanilino)-2-pyridinyl]methanone
CID 109193829
3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196414
(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191349
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109196331) is [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CCc1ccccc1Nc1ccc(C(=O)N2CCCC(C)C2)nc1.
What is the InChIKey of [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YGIWWDNYGBIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-16-8-4-5-9-18(16)22-17-10-11-19(21-13-17)20(24)23-12-6-7-15(2)14-23/h4-5,8-11,13,15,22H,3,6-7,12,14H2,1-2H3.
What are the key properties of [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109196331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).