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

C21H27N3O — CID 109240527

IUPAC[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cncc(N(CC)c2ccccc2)c1
InChIInChI=1S/C21H27N3O/c1-3-18-10-8-9-13-24(18)21(25)17-14-20(16-22-15-17)23(4-2)19-11-6-5-7-12-19/h5-7,11-12,14-16,18H,3-4,8-10,13H2,1-2H3
InChIKeyVGNUBGBWHOKSEH-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.64
Rot. Bonds5

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

[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109240527) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109240527
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cncc(N(CC)c2ccccc2)c1
InChIInChI=1S/C21H27N3O/c1-3-18-10-8-9-13-24(18)21(25)17-14-20(16-22-15-17)23(4-2)19-11-6-5-7-12-19/h5-7,11-12,14-16,18H,3-4,8-10,13H2,1-2H3
InChIKeyVGNUBGBWHOKSEH-UHFFFAOYSA-N
XLogP4.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109239732
[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240509
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109105660
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464

Frequently Asked Questions

What is the IUPAC name of [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109240527) is [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cncc(N(CC)c2ccccc2)c1.
What is the InChIKey of [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is VGNUBGBWHOKSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-18-10-8-9-13-24(18)21(25)17-14-20(16-22-15-17)23(4-2)19-11-6-5-7-12-19/h5-7,11-12,14-16,18H,3-4,8-10,13H2,1-2H3.
What are the key properties of [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 337.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109240527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).