4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one

C13H19N3O — CID 63887494

IUPAC4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one
SMILESCc1cccc(CNC2CCCNC(=O)C2)n1
InChIInChI=1S/C13H19N3O/c1-10-4-2-5-12(16-10)9-15-11-6-3-7-14-13(17)8-11/h2,4-5,11,15H,3,6-9H2,1H3,(H,14,17)
InChIKeyJFGFPIZGUAMEQU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.15
Rot. Bonds3

About 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one

4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one (PubChem CID 63887494) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one
PubChem CID63887494
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one
SMILESCc1cccc(CNC2CCCNC(=O)C2)n1
InChIInChI=1S/C13H19N3O/c1-10-4-2-5-12(16-10)9-15-11-6-3-7-14-13(17)8-11/h2,4-5,11,15H,3,6-9H2,1H3,(H,14,17)
InChIKeyJFGFPIZGUAMEQU-UHFFFAOYSA-N
XLogP1.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 155506980
3-[(6-methyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62323725
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one
CID 63887122
4-[(2-methyl-3-nitrophenyl)methylamino]azepan-2-one
CID 103114777
4-[2-(3-methylphenyl)ethylamino]azepan-2-one
CID 63887888
1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 79267253
N-[(6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983299
N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62307379
4-(2-aminoethylamino)azepan-2-one
CID 63887291
2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 130751518
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
5-[(cyclopropylamino)methyl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380594

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one (CID 63887494) is 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one is Cc1cccc(CNC2CCCNC(=O)C2)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one?
The InChIKey is JFGFPIZGUAMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-4-2-5-12(16-10)9-15-11-6-3-7-14-13(17)8-11/h2,4-5,11,15H,3,6-9H2,1H3,(H,14,17).
What are the key properties of 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one?
4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one is sourced from PubChem (CID 63887494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).