2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone

C14H21N3O — CID 107338827

IUPAC2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C14H21N3O/c1-11-3-2-7-17(8-6-11)14(18)9-13-5-4-12(15)10-16-13/h4-5,10-11H,2-3,6-9,15H2,1H3
InChIKeyODFIVTPJMNGARN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.85
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone

2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone (PubChem CID 107338827) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
PubChem CID107338827
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C14H21N3O/c1-11-3-2-7-17(8-6-11)14(18)9-13-5-4-12(15)10-16-13/h4-5,10-11H,2-3,6-9,15H2,1H3
InChIKeyODFIVTPJMNGARN-UHFFFAOYSA-N
XLogP1.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
2-(5-amino-2-pyridinyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 107338725
2-(5-amino-2-pyridinyl)-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 107339308
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone (CID 107338827) is 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone is CC1CCCN(C(=O)Cc2ccc(N)cn2)CC1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone?
The InChIKey is ODFIVTPJMNGARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-3-2-7-17(8-6-11)14(18)9-13-5-4-12(15)10-16-13/h4-5,10-11H,2-3,6-9,15H2,1H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone?
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.85, 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-(4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 107338827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).