[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone

C14H21N3O2 — CID 81241168

IUPAC[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H21N3O2/c1-10-7-13(15-3)12(8-16-10)14(18)17-5-4-6-19-11(2)9-17/h7-8,11H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyTZVIDUGIJPTSAI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.68
Rot. Bonds2

About [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone

[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 81241168) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID81241168
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H21N3O2/c1-10-7-13(15-3)12(8-16-10)14(18)17-5-4-6-19-11(2)9-17/h7-8,11H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyTZVIDUGIJPTSAI-UHFFFAOYSA-N
XLogP1.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 81241168) is [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone is CNc1cc(C)ncc1C(=O)N1CCCOC(C)C1.
What is the InChIKey of [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is TZVIDUGIJPTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-13(15-3)12(8-16-10)14(18)17-5-4-6-19-11(2)9-17/h7-8,11H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone?
[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 81241168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).