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

C19H29N3O — CID 109226885

IUPAC[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cncc(NC2CCCCC2)c1
InChIInChI=1S/C19H29N3O/c1-2-18-10-6-7-11-22(18)19(23)15-12-17(14-20-13-15)21-16-8-4-3-5-9-16/h12-14,16,18,21H,2-11H2,1H3
InChIKeyVQVYTGRODSGGAS-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.23
Rot. Bonds4

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

[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109226885) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109226885
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cncc(NC2CCCCC2)c1
InChIInChI=1S/C19H29N3O/c1-2-18-10-6-7-11-22(18)19(23)15-12-17(14-20-13-15)21-16-8-4-3-5-9-16/h12-14,16,18,21H,2-11H2,1H3
InChIKeyVQVYTGRODSGGAS-UHFFFAOYSA-N
XLogP4.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230117
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
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-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240550
(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
CID 109239202

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109226885) is [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cncc(NC2CCCCC2)c1.
What is the InChIKey of [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is VQVYTGRODSGGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-18-10-6-7-11-22(18)19(23)15-12-17(14-20-13-15)21-16-8-4-3-5-9-16/h12-14,16,18,21H,2-11H2,1H3.
What are the key properties of [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 315.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109226885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).