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

C22H22N4O2 — CID 66967113

IUPACN-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCC(c1ccc2cc[nH]c2c1)N(C)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22N4O2/c1-14(17-5-4-16-9-10-23-19(16)12-17)26(2)21(28)8-3-15-11-18-6-7-20(27)25-22(18)24-13-15/h3-5,8-14,23H,6-7H2,1-2H3,(H,24,25,27)
InChIKeyLJTBTPCLCRMIAS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.68
Rot. Bonds4

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

N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (PubChem CID 66967113) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
PubChem CID66967113
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCC(c1ccc2cc[nH]c2c1)N(C)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22N4O2/c1-14(17-5-4-16-9-10-23-19(16)12-17)26(2)21(28)8-3-15-11-18-6-7-20(27)25-22(18)24-13-15/h3-5,8-14,23H,6-7H2,1-2H3,(H,24,25,27)
InChIKeyLJTBTPCLCRMIAS-UHFFFAOYSA-N
XLogP3.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The IUPAC name of N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (CID 66967113) is N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is CC(c1ccc2cc[nH]c2c1)N(C)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The InChIKey is LJTBTPCLCRMIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(17-5-4-16-9-10-23-19(16)12-17)26(2)21(28)8-3-15-11-18-6-7-20(27)25-22(18)24-13-15/h3-5,8-14,23H,6-7H2,1-2H3,(H,24,25,27).
What are the key properties of N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide has a molecular weight of 374.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-6-yl)ethyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 66967113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).