1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one

C21H18N4O — CID 10132162

IUPAC1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2ccncc2)cc2cccnc2n1-c1cccnc1
InChIInChI=1S/C21H18N4O/c26-21-18(5-1-4-16-8-12-22-13-9-16)14-17-6-2-11-24-20(17)25(21)19-7-3-10-23-15-19/h2-3,6-15H,1,4-5H2
InChIKeyNVOZTQNJJFKTAF-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.35
Rot. Bonds5

About 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one

1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one (PubChem CID 10132162) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
PubChem CID10132162
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
SMILESO=c1c(CCCc2ccncc2)cc2cccnc2n1-c1cccnc1
InChIInChI=1S/C21H18N4O/c26-21-18(5-1-4-16-8-12-22-13-9-16)14-17-6-2-11-24-20(17)25(21)19-7-3-10-23-15-19/h2-3,6-15H,1,4-5H2
InChIKeyNVOZTQNJJFKTAF-UHFFFAOYSA-N
XLogP3.35
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Wnt-974
CID 46926973
Las-101057
CID 16071896
BPKDi
CID 46901383
Gnf6231
CID 46927297
5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725
2-Ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470726
5,11-Dihydro-11-ethyl-5-methyl-8-[2-(pyrid-4-yl)ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 470729
2-Ethyl-9-methyl-13-[2-(pyridin-3-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470730
2-Ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470731
2-Ethyl-9-methyl-13-[2-(pyrimidin-5-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470732

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one (CID 10132162) is 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one is O=c1c(CCCc2ccncc2)cc2cccnc2n1-c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
The InChIKey is NVOZTQNJJFKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21-18(5-1-4-16-8-12-22-13-9-16)14-17-6-2-11-24-20(17)25(21)19-7-3-10-23-15-19/h2-3,6-15H,1,4-5H2.
What are the key properties of 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one?
1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 10132162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).