6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C23H23N3O3 — CID 71261718

IUPAC6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1ccccc1C1=CCCN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C23H23N3O3/c1-29-20-7-3-2-6-19(20)18-5-4-12-26(15-18)22(28)11-8-16-13-17-9-10-21(27)25-23(17)24-14-16/h2-3,5-8,11,13-14H,4,9-10,12,15H2,1H3,(H,24,25,27)/b11-8+
InChIKeyYOEAZVFJRNOMMP-DHZHZOJOSA-N
MW389.46 g/mol
LogP3.30
Rot. Bonds4

About 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71261718) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71261718
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1ccccc1C1=CCCN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C23H23N3O3/c1-29-20-7-3-2-6-19(20)18-5-4-12-26(15-18)22(28)11-8-16-13-17-9-10-21(27)25-23(17)24-14-16/h2-3,5-8,11,13-14H,4,9-10,12,15H2,1H3,(H,24,25,27)/b11-8+
InChIKeyYOEAZVFJRNOMMP-DHZHZOJOSA-N
XLogP3.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 78056461
6-[(E)-3-[4-(2-fluoro-6-methoxyphenyl)-2,3,6,7-tetrahydroazepin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71262390
7-[(E)-3-[4-(5-fluoro-2-methoxyphenyl)-2,3,6,7-tetrahydroazepin-1-yl]-3-oxoprop-1-enyl]-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one
CID 72792473
6-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 154047957
4-methyl-7-[(E)-3-oxo-3-(4-phenyl-2,3,6,7-tetrahydroazepin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one
CID 73295371
6-[3-(azetidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 70926898
6-[3-[4-(5-fluoro-2-methoxyphenyl)-2,3,6,7-tetrahydroazepin-1-yl]-3-oxoprop-1-enyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
CID 123749456
4-acetyl-7-[3-oxo-3-(4-phenyl-2,3,6,7-tetrahydroazepin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one
CID 123344178
6-[3-[4-[(2-methoxy-4-methylphenoxy)methyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 154047960
6-[3-oxo-3-(3-phenoxyazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 70926941
but-2-ene;ethane;6-[(E)-3-oxo-3-(4-phenoxypiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 144525774
6-[(E)-3-[5-(2,3-dichlorophenyl)-2,3,4,7-tetrahydroazepin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71262394

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71261718) is 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is COc1ccccc1C1=CCCN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is YOEAZVFJRNOMMP-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-20-7-3-2-6-19(20)18-5-4-12-26(15-18)22(28)11-8-16-13-17-9-10-21(27)25-23(17)24-14-16/h2-3,5-8,11,13-14H,4,9-10,12,15H2,1H3,(H,24,25,27)/b11-8+.
What are the key properties of 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[5-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71261718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).