N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

C23H24N4O3 — CID 66780319

IUPACN-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCOc1ccc2c(CN(C)C(=O)C=Cc3cnc4c(c3)CCC(=O)N4)cn(C)c2c1
InChIInChI=1S/C23H24N4O3/c1-26-13-17(19-7-6-18(30-3)11-20(19)26)14-27(2)22(29)9-4-15-10-16-5-8-21(28)25-23(16)24-12-15/h4,6-7,9-13H,5,8,14H2,1-3H3,(H,24,25,28)
InChIKeyJSMZQZWKGIGEQP-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.14
Rot. Bonds5

About N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (PubChem CID 66780319) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
PubChem CID66780319
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCOc1ccc2c(CN(C)C(=O)C=Cc3cnc4c(c3)CCC(=O)N4)cn(C)c2c1
InChIInChI=1S/C23H24N4O3/c1-26-13-17(19-7-6-18(30-3)11-20(19)26)14-27(2)22(29)9-4-15-10-16-5-8-21(28)25-23(16)24-12-15/h4,6-7,9-13H,5,8,14H2,1-3H3,(H,24,25,28)
InChIKeyJSMZQZWKGIGEQP-UHFFFAOYSA-N
XLogP3.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10001268
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66967531
(E)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10474956
(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10343753
(E)-N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide;hydrochloride
CID 10343560
methyl 6-[3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
CID 66905339
(E)-N-[(2-chloro-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10070056
N-[(3,6-dimethyl-1H-indol-5-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66967830
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
(E)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10474590
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide
CID 66905357
N-methyl-N-[(3-methyl-1H-inden-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 66780186

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The IUPAC name of N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (CID 66780319) is N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is COc1ccc2c(CN(C)C(=O)C=Cc3cnc4c(c3)CCC(=O)N4)cn(C)c2c1.
What is the InChIKey of N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The InChIKey is JSMZQZWKGIGEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26-13-17(19-7-6-18(30-3)11-20(19)26)14-27(2)22(29)9-4-15-10-16-5-8-21(28)25-23(16)24-12-15/h4,6-7,9-13H,5,8,14H2,1-3H3,(H,24,25,28).
What are the key properties of N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide has a molecular weight of 404.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1-methylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 66780319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).