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

C19H31N3O — CID 109240509

IUPAC[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCCN(CCC)c1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C19H31N3O/c1-4-10-21(11-5-2)18-13-16(14-20-15-18)19(23)22-12-8-7-9-17(22)6-3/h13-15,17H,4-12H2,1-3H3
InChIKeySPAKLVBUDATSJZ-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.11
Rot. Bonds7

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

[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109240509) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109240509
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCCN(CCC)c1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C19H31N3O/c1-4-10-21(11-5-2)18-13-16(14-20-15-18)19(23)22-12-8-7-9-17(22)6-3/h13-15,17H,4-12H2,1-3H3
InChIKeySPAKLVBUDATSJZ-UHFFFAOYSA-N
XLogP4.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240527
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109239732
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
N-cyclohexyl-5-(dipropylamino)pyridine-3-carboxamide
CID 109226706

Frequently Asked Questions

What is the IUPAC name of [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109240509) is [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCCN(CCC)c1cncc(C(=O)N2CCCCC2CC)c1.
What is the InChIKey of [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is SPAKLVBUDATSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-10-21(11-5-2)18-13-16(14-20-15-18)19(23)22-12-8-7-9-17(22)6-3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 317.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109240509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).