[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C21H27N3O2 — CID 109240550

IUPAC[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1ccccc1Nc1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C21H27N3O2/c1-3-18-9-7-8-12-24(18)21(25)16-13-17(15-22-14-16)23-19-10-5-6-11-20(19)26-4-2/h5-6,10-11,13-15,18,23H,3-4,7-9,12H2,1-2H3
InChIKeyMKBAZLJBHBYQME-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.63
Rot. Bonds6

About [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109240550) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109240550
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCOc1ccccc1Nc1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C21H27N3O2/c1-3-18-9-7-8-12-24(18)21(25)16-13-17(15-22-14-16)23-19-10-5-6-11-20(19)26-4-2/h5-6,10-11,13-15,18,23H,3-4,7-9,12H2,1-2H3
InChIKeyMKBAZLJBHBYQME-UHFFFAOYSA-N
XLogP4.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230172
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
N-(2-ethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056478
N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109240554
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175650

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109240550) is [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCOc1ccccc1Nc1cncc(C(=O)N2CCCCC2CC)c1.
What is the InChIKey of [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is MKBAZLJBHBYQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-18-9-7-8-12-24(18)21(25)16-13-17(15-22-14-16)23-19-10-5-6-11-20(19)26-4-2/h5-6,10-11,13-15,18,23H,3-4,7-9,12H2,1-2H3.
What are the key properties of [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109240550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).