3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

C19H19N5O2 — CID 163354439

IUPAC3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCc3nc4ncccc4cc3C2)c(=O)c1C
InChIInChI=1S/C19H19N5O2/c1-12-13(2)21-11-24(19(12)26)10-17(25)23-7-5-16-15(9-23)8-14-4-3-6-20-18(14)22-16/h3-4,6,8,11H,5,7,9-10H2,1-2H3
InChIKeyDVDOBQINAUSBKS-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.39
Rot. Bonds2

About 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 163354439) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
PubChem CID163354439
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCc3nc4ncccc4cc3C2)c(=O)c1C
InChIInChI=1S/C19H19N5O2/c1-12-13(2)21-11-24(19(12)26)10-17(25)23-7-5-16-15(9-23)8-14-4-3-6-20-18(14)22-16/h3-4,6,8,11H,5,7,9-10H2,1-2H3
InChIKeyDVDOBQINAUSBKS-UHFFFAOYSA-N
XLogP1.39
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-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

6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one
CID 163352343
3-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 90621036
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
CID 163351897
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
CID 163350691
5-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91632563
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
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
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
3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163348733
[2-(difluoromethylsulfonyl)phenyl]-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 163348754

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (CID 163354439) is 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC(=O)N2CCc3nc4ncccc4cc3C2)c(=O)c1C.
What is the InChIKey of 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is DVDOBQINAUSBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-13(2)21-11-24(19(12)26)10-17(25)23-7-5-16-15(9-23)8-14-4-3-6-20-18(14)22-16/h3-4,6,8,11H,5,7,9-10H2,1-2H3.
What are the key properties of 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 349.39 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 163354439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).