(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone

C13H19N3O2 — CID 114218720

IUPAC(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)ccn2)CCCO1
InChIInChI=1S/C13H19N3O2/c1-2-11-9-16(6-3-7-18-11)13(17)12-8-10(14)4-5-15-12/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,14,15)
InChIKeyAZMOMMLPZHDDMI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds2

About (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone

(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone (PubChem CID 114218720) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
PubChem CID114218720
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)ccn2)CCCO1
InChIInChI=1S/C13H19N3O2/c1-2-11-9-16(6-3-7-18-11)13(17)12-8-10(14)4-5-15-12/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,14,15)
InChIKeyAZMOMMLPZHDDMI-UHFFFAOYSA-N
XLogP1.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-2-pyridinyl)-(2-ethyl-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

Related Compounds

(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
(4-amino-2-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154675
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645
1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
CID 56863207
6-(2-ethylmorpholine-4-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 76951823
2-(3-amino-1,2,4-triazol-1-yl)-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 114218228
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114217672
4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892425
(2-ethylmorpholin-4-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 62243410
[3-(chloromethyl)phenyl]-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218306
(4-amino-2-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745598

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone (CID 114218720) is (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone is CCC1CN(C(=O)c2cc(N)ccn2)CCCO1.
What is the InChIKey of (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is AZMOMMLPZHDDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11-9-16(6-3-7-18-11)13(17)12-8-10(14)4-5-15-12/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,14,15).
What are the key properties of (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone?
(4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 114218720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).