1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one

C17H21N3O — CID 163351897

IUPAC1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C17H21N3O/c1-3-12(2)9-16(21)20-8-6-15-14(11-20)10-13-5-4-7-18-17(13)19-15/h4-5,7,10,12H,3,6,8-9,11H2,1-2H3
InChIKeyUTZWQOVOFFPBCR-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.95
Rot. Bonds3

About 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one

1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one (PubChem CID 163351897) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
PubChem CID163351897
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C17H21N3O/c1-3-12(2)9-16(21)20-8-6-15-14(11-20)10-13-5-4-7-18-17(13)19-15/h4-5,7,10,12H,3,6,8-9,11H2,1-2H3
InChIKeyUTZWQOVOFFPBCR-UHFFFAOYSA-N
XLogP2.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one 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

1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
CID 163350691
3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163354439
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-(4-fluorophenoxy)ethanone
CID 163350693
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethoxyphenyl)methanone
CID 163350715
N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 147008290
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one
CID 163352343
5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
CID 163351885
N-(4-fluorophenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163350838
[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 163348754
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone
CID 154747926

Frequently Asked Questions

What is the IUPAC name of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one (CID 163351897) is 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one is CCC(C)CC(=O)N1CCc2nc3ncccc3cc2C1.
What is the InChIKey of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one?
The InChIKey is UTZWQOVOFFPBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-12(2)9-16(21)20-8-6-15-14(11-20)10-13-5-4-7-18-17(13)19-15/h4-5,7,10,12H,3,6,8-9,11H2,1-2H3.
What are the key properties of 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one?
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one has a molecular weight of 283.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one is sourced from PubChem (CID 163351897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).