1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one

C15H23N3O — CID 55075717

IUPAC1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
SMILESCCCNc1ncccc1CN1CCCCCC1=O
InChIInChI=1S/C15H23N3O/c1-2-9-16-15-13(7-6-10-17-15)12-18-11-5-3-4-8-14(18)19/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,16,17)
InChIKeyDQYVGTQESQNTIQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds5

About 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one

1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one (PubChem CID 55075717) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one.

Molecular Properties

Compound Name1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
PubChem CID55075717
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
SMILESCCCNc1ncccc1CN1CCCCCC1=O
InChIInChI=1S/C15H23N3O/c1-2-9-16-15-13(7-6-10-17-15)12-18-11-5-3-4-8-14(18)19/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,16,17)
InChIKeyDQYVGTQESQNTIQ-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 62464540
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
2-[[2-(propylamino)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936826
4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 104512672
1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one
CID 58268580
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
CID 62880693
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79181550
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one?
The IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one (CID 55075717) is 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one.
What is the SMILES notation for 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one?
The canonical SMILES for 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one is CCCNc1ncccc1CN1CCCCCC1=O.
What is the InChIKey of 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one?
The InChIKey is DQYVGTQESQNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-9-16-15-13(7-6-10-17-15)12-18-11-5-3-4-8-14(18)19/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,16,17).
What are the key properties of 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one?
1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one is sourced from PubChem (CID 55075717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).