1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one

C25H25N3O3 — CID 155347827

IUPAC1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one
SMILESCCOC1C=Cc2cc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(C4CC4)nc3)c2N1
InChIInChI=1S/C25H25N3O3/c1-3-31-23-13-8-18-14-21(16-6-10-20(30-2)11-7-16)25(29)28(24(18)27-23)19-9-12-22(26-15-19)17-4-5-17/h6-15,17,23,27H,3-5H2,1-2H3
InChIKeyBTGVQLKQLLIQTN-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.59
Rot. Bonds6

About 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one

1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one (PubChem CID 155347827) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one
PubChem CID155347827
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one
SMILESCCOC1C=Cc2cc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(C4CC4)nc3)c2N1
InChIInChI=1S/C25H25N3O3/c1-3-31-23-13-8-18-14-21(16-6-10-20(30-2)11-7-16)25(29)28(24(18)27-23)19-9-12-22(26-15-19)17-4-5-17/h6-15,17,23,27H,3-5H2,1-2H3
InChIKeyBTGVQLKQLLIQTN-UHFFFAOYSA-N
XLogP4.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;7-ethoxy-3-(6-imino-1-methanimidoyl-3-pyridinyl)-1-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one
CID 155732452
1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one
CID 155347593
3-[4-amino-3-(methyliminomethyl)phenyl]-1-(4-bromophenyl)-7-(2,2,2-trifluoroethoxy)-7,8-dihydro-1,8-naphthyridin-2-one
CID 155347795
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347871
ethane;methanol;6-(4-methoxyphenyl)-2-methylsulfinyl-8-phenyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one
CID 155732416
6-(2,2-dimethyl-1,3-benzodioxol-5-yl)-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-1,2-dihydropyrido[2,3-d]pyrimidin-7-one;ethane
CID 155732492
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate
CID 71698444
4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 118709184
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
(2R)-8-(1H-indol-5-yl)-6-(4-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)-1H-pyrido[2,3-d]pyrimidin-7-one
CID 155347866
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one (CID 155347827) is 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one is CCOC1C=Cc2cc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(C4CC4)nc3)c2N1.
What is the InChIKey of 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one?
The InChIKey is BTGVQLKQLLIQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-3-31-23-13-8-18-14-21(16-6-10-20(30-2)11-7-16)25(29)28(24(18)27-23)19-9-12-22(26-15-19)17-4-5-17/h6-15,17,23,27H,3-5H2,1-2H3.
What are the key properties of 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one?
1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one has a molecular weight of 415.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-3-pyridinyl)-7-ethoxy-3-(4-methoxyphenyl)-7,8-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 155347827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).