[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone

C15H23N3O — CID 104641464

IUPAC[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCCCC2C)nc1
InChIInChI=1S/C15H23N3O/c1-3-16-13-8-9-14(17-11-13)15(19)18-10-6-4-5-7-12(18)2/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeySTACISXQEIFDBD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds3

About [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone

[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone (PubChem CID 104641464) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
PubChem CID104641464
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCCCCC2C)nc1
InChIInChI=1S/C15H23N3O/c1-3-16-13-8-9-14(17-11-13)15(19)18-10-6-4-5-7-12(18)2/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeySTACISXQEIFDBD-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 104642325
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
[5-(ethylamino)-2-pyridinyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 104641130
[5-(cyclohexylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109183135
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
[5-(ethylamino)-2-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62172348

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone?
The IUPAC name of [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone (CID 104641464) is [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone?
The canonical SMILES for [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone is CCNc1ccc(C(=O)N2CCCCCC2C)nc1.
What is the InChIKey of [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone?
The InChIKey is STACISXQEIFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-16-13-8-9-14(17-11-13)15(19)18-10-6-4-5-7-12(18)2/h8-9,11-12,16H,3-7,10H2,1-2H3.
What are the key properties of [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone?
[5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-2-pyridinyl]-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 104641464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).