1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one

C15H23N3O — CID 79232942

IUPAC1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(Cc2cccc(N)n2)CC1
InChIInChI=1S/C15H23N3O/c1-2-4-12-7-8-15(19)18(10-9-12)11-13-5-3-6-14(16)17-13/h3,5-6,12H,2,4,7-11H2,1H3,(H2,16,17)
InChIKeyIKLQGCKAYPRDKO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds4

About 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one

1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one (PubChem CID 79232942) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one.

Molecular Properties

Compound Name1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one
PubChem CID79232942
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(Cc2cccc(N)n2)CC1
InChIInChI=1S/C15H23N3O/c1-2-4-12-7-8-15(19)18(10-9-12)11-13-5-3-6-14(16)17-13/h3,5-6,12H,2,4,7-11H2,1H3,(H2,16,17)
InChIKeyIKLQGCKAYPRDKO-UHFFFAOYSA-N
XLogP2.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-chloro-2-pyridinyl)methyl]-5-propylazepan-2-one
CID 79240264
1-[(6-hydrazinyl-2-pyridinyl)methyl]-5-propylazepan-2-one
CID 79231523
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-propylazepan-2-one
CID 79774182
3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
CID 79230999
1-[[6-(methylamino)-2-pyridinyl]methyl]-5-propan-2-ylazepan-2-one
CID 79234023
2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862697
1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
CID 103935393
1-[(2-bromo-5-methoxyphenyl)methyl]-5-propylazepan-2-one
CID 65326420
2-[(6-amino-2-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513948
5-propyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one
CID 103072526
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-propylazepan-2-one
CID 103072525
3-[(6-amino-2-pyridinyl)methyl]-1,3-oxazinan-2-one
CID 105460257

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
The IUPAC name of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one (CID 79232942) is 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one.
What is the SMILES notation for 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
The canonical SMILES for 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one is CCCC1CCC(=O)N(Cc2cccc(N)n2)CC1.
What is the InChIKey of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
The InChIKey is IKLQGCKAYPRDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-4-12-7-8-15(19)18(10-9-12)11-13-5-3-6-14(16)17-13/h3,5-6,12H,2,4,7-11H2,1H3,(H2,16,17).
What are the key properties of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one is sourced from PubChem (CID 79232942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).