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

C17H27N3O — CID 109225384

IUPAC[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C17H27N3O/c1-4-13(3)19-15-10-14(11-18-12-15)17(21)20-9-7-6-8-16(20)5-2/h10-13,16,19H,4-9H2,1-3H3
InChIKeyBGTDJGSDPNYHKG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds5

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

[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109225384) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109225384
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC(C)Nc1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C17H27N3O/c1-4-13(3)19-15-10-14(11-18-12-15)17(21)20-9-7-6-8-16(20)5-2/h10-13,16,19H,4-9H2,1-3H3
InChIKeyBGTDJGSDPNYHKG-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225306
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109240554
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240509

Frequently Asked Questions

What is the IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109225384) is [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC(C)Nc1cncc(C(=O)N2CCCCC2CC)c1.
What is the InChIKey of [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is BGTDJGSDPNYHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-13(3)19-15-10-14(11-18-12-15)17(21)20-9-7-6-8-16(20)5-2/h10-13,16,19H,4-9H2,1-3H3.
What are the key properties of [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109225384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).