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

C20H25N3O — CID 109188025

IUPAC[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C20H25N3O/c1-2-18-10-6-7-13-23(18)20(24)19-12-11-17(15-22-19)21-14-16-8-4-3-5-9-16/h3-5,8-9,11-12,15,18,21H,2,6-7,10,13-14H2,1H3
InChIKeyBBOCRKIDLSTTGP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.10
Rot. Bonds5

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

[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109188025) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109188025
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C20H25N3O/c1-2-18-10-6-7-13-23(18)20(24)19-12-11-17(15-22-19)21-14-16-8-4-3-5-9-16/h3-5,8-9,11-12,15,18,21H,2,6-7,10,13-14H2,1H3
InChIKeyBBOCRKIDLSTTGP-UHFFFAOYSA-N
XLogP4.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109188527
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109117736
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109186143
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
3-[6-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978681
(2-ethylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288501
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
CID 104641464
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 109188025) is [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(NCc2ccccc2)cn1.
What is the InChIKey of [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is BBOCRKIDLSTTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-18-10-6-7-13-23(18)20(24)19-12-11-17(15-22-19)21-14-16-8-4-3-5-9-16/h3-5,8-9,11-12,15,18,21H,2,6-7,10,13-14H2,1H3.
What are the key properties of [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109188025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).