1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one

C24H24N4O2 — CID 159307659

IUPAC1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(CCCO)cn3)cc21
InChIInChI=1S/C24H24N4O2/c1-2-28-21-14-23(27-22-11-10-17(15-25-22)7-6-12-29)26-16-19(21)13-20(24(28)30)18-8-4-3-5-9-18/h3-5,8-11,13-16,29H,2,6-7,12H2,1H3,(H,25,26,27)
InChIKeyLCCVZXHJHTUAMB-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.15
Rot. Bonds7

About 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one

1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 159307659) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one
PubChem CID159307659
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(CCCO)cn3)cc21
InChIInChI=1S/C24H24N4O2/c1-2-28-21-14-23(27-22-11-10-17(15-25-22)7-6-12-29)26-16-19(21)13-20(24(28)30)18-8-4-3-5-9-18/h3-5,8-11,13-16,29H,2,6-7,12H2,1H3,(H,25,26,27)
InChIKeyLCCVZXHJHTUAMB-UHFFFAOYSA-N
XLogP4.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one
CID 118271170
3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400003
1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile
CID 118400055
3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535
3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one
CID 118400038
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
CID 118400017
3-(3,3-dimethylbut-1-ynyl)-1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400001
1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one
CID 123464495
3-[1-ethyl-7-[4-[2-hydroxyethyl(propyl)amino]anilino]-2-oxo-1,6-naphthyridin-3-yl]-N,5-dimethoxybenzamide
CID 143583284
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
3-(3-chloro-2,6-difluorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400021
2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 11537968

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one (CID 159307659) is 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(CCCO)cn3)cc21.
What is the InChIKey of 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one?
The InChIKey is LCCVZXHJHTUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-28-21-14-23(27-22-11-10-17(15-25-22)7-6-12-29)26-16-19(21)13-20(24(28)30)18-8-4-3-5-9-18/h3-5,8-11,13-16,29H,2,6-7,12H2,1H3,(H,25,26,27).
What are the key properties of 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one?
1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 400.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 159307659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).