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

C30H36N6O2 — CID 118271328

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)C2)nc1
InChIInChI=1S/C30H36N6O2/c1-4-35(5-2)15-16-38-25-11-12-28(32-20-25)33-29-18-27-23(19-31-29)17-26(22-9-7-6-8-10-22)30(37)36(27)24-13-14-34(3)21-24/h6-12,17-20,24H,4-5,13-16,21H2,1-3H3,(H,31,32,33)
InChIKeyUOGBYULAZMCMND-UHFFFAOYSA-N
MW512.66 g/mol
LogP4.80
Rot. Bonds10

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

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 118271328) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one
PubChem CID118271328
Molecular FormulaC30H36N6O2
Molecular Weight512.66 g/mol
Exact Mass512.29
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)C2)nc1
InChIInChI=1S/C30H36N6O2/c1-4-35(5-2)15-16-38-25-11-12-28(32-20-25)33-29-18-27-23(19-31-29)17-26(22-9-7-6-8-10-22)30(37)36(27)24-13-14-34(3)21-24/h6-12,17-20,24H,4-5,13-16,21H2,1-3H3,(H,31,32,33)
InChIKeyUOGBYULAZMCMND-UHFFFAOYSA-N
XLogP4.80
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.66
LogP ≤ 54.80
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-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one (CID 118271328) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCN(C)C2)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one?
The InChIKey is UOGBYULAZMCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-4-35(5-2)15-16-38-25-11-12-28(32-20-25)33-29-18-27-23(19-31-29)17-26(22-9-7-6-8-10-22)30(37)36(27)24-13-14-34(3)21-24/h6-12,17-20,24H,4-5,13-16,21H2,1-3H3,(H,31,32,33).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 512.66 g/mol, XLogP of 4.80, 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-(1-methylpyrrolidin-3-yl)-3-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).