3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione

C12H14N2O2 — CID 158996695

IUPAC3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
SMILESCC(C)c1cnc2c(c1)C(=O)CCC(=O)N2
InChIInChI=1S/C12H14N2O2/c1-7(2)8-5-9-10(15)3-4-11(16)14-12(9)13-6-8/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyREOIXZIBEGCHIW-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.12
Rot. Bonds1

About 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione

3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione (PubChem CID 158996695) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione.

Molecular Properties

Compound Name3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
PubChem CID158996695
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
SMILESCC(C)c1cnc2c(c1)C(=O)CCC(=O)N2
InChIInChI=1S/C12H14N2O2/c1-7(2)8-5-9-10(15)3-4-11(16)14-12(9)13-6-8/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyREOIXZIBEGCHIW-UHFFFAOYSA-N
XLogP2.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione 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

7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 20752822
ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143766696
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 155009311
6-propan-2-ylspiro[1H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-2-one
CID 166021936
3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 121384033
14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 67522498
3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one
CID 177158573
3-methyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 142820616
ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
CID 170749748
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
The IUPAC name of 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione (CID 158996695) is 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione.
What is the SMILES notation for 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
The canonical SMILES for 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione is CC(C)c1cnc2c(c1)C(=O)CCC(=O)N2.
What is the InChIKey of 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
The InChIKey is REOIXZIBEGCHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(2)8-5-9-10(15)3-4-11(16)14-12(9)13-6-8/h5-7H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione?
3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione has a molecular weight of 218.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione is sourced from PubChem (CID 158996695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).