7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one

C30H30N6O2 — CID 118271390

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3-c2cccnc2)nc1
InChIInChI=1S/C30H30N6O2/c1-3-35(4-2)15-16-38-25-12-13-28(33-21-25)34-29-18-27-23(19-32-29)17-26(22-9-6-5-7-10-22)30(37)36(27)24-11-8-14-31-20-24/h5-14,17-21H,3-4,15-16H2,1-2H3,(H,32,33,34)
InChIKeyPHUZJQVRHYOEPF-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.31
Rot. Bonds10

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one (PubChem CID 118271390) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one
PubChem CID118271390
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3-c2cccnc2)nc1
InChIInChI=1S/C30H30N6O2/c1-3-35(4-2)15-16-38-25-12-13-28(33-21-25)34-29-18-27-23(19-32-29)17-26(22-9-6-5-7-10-22)30(37)36(27)24-11-8-14-31-20-24/h5-14,17-21H,3-4,15-16H2,1-2H3,(H,32,33,34)
InChIKeyPHUZJQVRHYOEPF-UHFFFAOYSA-N
XLogP5.31
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one (CID 118271390) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3-c2cccnc2)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one?
The InChIKey is PHUZJQVRHYOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2/c1-3-35(4-2)15-16-38-25-12-13-28(33-21-25)34-29-18-27-23(19-32-29)17-26(22-9-6-5-7-10-22)30(37)36(27)24-11-8-14-31-20-24/h5-14,17-21H,3-4,15-16H2,1-2H3,(H,32,33,34).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one has a molecular weight of 506.61 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-pyridin-3-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).