1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one

C15H23N3O — CID 79051639

IUPAC1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cnccc1N)N1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-15(2,18-9-5-3-4-6-10-18)14(19)12-11-17-8-7-13(12)16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyIRCLEJAYUCDBBF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one

1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one (PubChem CID 79051639) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
PubChem CID79051639
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1cnccc1N)N1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-15(2,18-9-5-3-4-6-10-18)14(19)12-11-17-8-7-13(12)16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17)
InChIKeyIRCLEJAYUCDBBF-UHFFFAOYSA-N
XLogP2.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one
CID 79045680
1-(4-amino-3-pyridinyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79068133
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
CID 116556928
2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069628
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79595184
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599190
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one (CID 79051639) is 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one is CC(C)(C(=O)c1cnccc1N)N1CCCCCC1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one?
The InChIKey is IRCLEJAYUCDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,18-9-5-3-4-6-10-18)14(19)12-11-17-8-7-13(12)16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,16,17).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one?
1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 79051639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).