7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one

C30H35N5O3 — CID 118399999

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCOCC2)nc1
InChIInChI=1S/C30H35N5O3/c1-3-34(4-2)14-17-38-25-10-11-28(32-21-25)33-29-19-27-23(20-31-29)18-26(22-8-6-5-7-9-22)30(36)35(27)24-12-15-37-16-13-24/h5-11,18-21,24H,3-4,12-17H2,1-2H3,(H,31,32,33)
InChIKeyLNHCWEMWGGTYRO-UHFFFAOYSA-N
MW513.64 g/mol
LogP5.27
Rot. Bonds10

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 118399999) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one
PubChem CID118399999
Molecular FormulaC30H35N5O3
Molecular Weight513.64 g/mol
Exact Mass513.27
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCOCC2)nc1
InChIInChI=1S/C30H35N5O3/c1-3-34(4-2)14-17-38-25-10-11-28(32-21-25)33-29-19-27-23(20-31-29)18-26(22-8-6-5-7-9-22)30(36)35(27)24-12-15-37-16-13-24/h5-11,18-21,24H,3-4,12-17H2,1-2H3,(H,31,32,33)
InChIKeyLNHCWEMWGGTYRO-UHFFFAOYSA-N
XLogP5.27
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 55.27
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]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one (CID 118399999) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCOCC2)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one?
The InChIKey is LNHCWEMWGGTYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-3-34(4-2)14-17-38-25-10-11-28(32-21-25)33-29-19-27-23(20-31-29)18-26(22-8-6-5-7-9-22)30(36)35(27)24-12-15-37-16-13-24/h5-11,18-21,24H,3-4,12-17H2,1-2H3,(H,31,32,33).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 513.64 g/mol, XLogP of 5.27, 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]-1-(oxan-4-yl)-3-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118399999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).