2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride

C14H22ClN3O — CID 120632859

IUPAC2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
SMILESCC1CCCCCN1C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-5-3-2-4-8-17(11)14(18)9-13-7-6-12(15)10-16-13;/h6-7,10-11H,2-5,8-9,15H2,1H3;1H
InChIKeyPILQXTKTYYIIGW-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.42
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride

2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride (PubChem CID 120632859) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
PubChem CID120632859
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
SMILESCC1CCCCCN1C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-5-3-2-4-8-17(11)14(18)9-13-7-6-12(15)10-16-13;/h6-7,10-11H,2-5,8-9,15H2,1H3;1H
InChIKeyPILQXTKTYYIIGW-UHFFFAOYSA-N
XLogP2.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120647136
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
1-[2-(5-amino-2-pyridinyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 120622960
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
2-(5-amino-2-pyridinyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120645633
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120647981
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride (CID 120632859) is 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride is CC1CCCCCN1C(=O)Cc1ccc(N)cn1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride?
The InChIKey is PILQXTKTYYIIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-11-5-3-2-4-8-17(11)14(18)9-13-7-6-12(15)10-16-13;/h6-7,10-11H,2-5,8-9,15H2,1H3;1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride?
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120632859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).