3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one

C27H29Cl2N5O2 — CID 118400025

IUPAC3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)nc1
InChIInChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32)
InChIKeyGVHNIJBVVMJQLY-UHFFFAOYSA-N
MW526.47 g/mol
LogP6.25
Rot. Bonds10

About 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one (PubChem CID 118400025) has the molecular formula C27H29Cl2N5O2 and a molecular weight of 526.47 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
PubChem CID118400025
Molecular FormulaC27H29Cl2N5O2
Molecular Weight526.47 g/mol
Exact Mass525.17
IUPAC Name3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)nc1
InChIInChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32)
InChIKeyGVHNIJBVVMJQLY-UHFFFAOYSA-N
XLogP6.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.47
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one (CID 118400025) is 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3CC)nc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
The InChIKey is GVHNIJBVVMJQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one has a molecular weight of 526.47 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).