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

C23H23N3O2 — CID 66780186

IUPACN-methyl-N-[(3-methyl-1H-inden-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCC1=C(CN(C)C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)Cc2ccccc21
InChIInChI=1S/C23H23N3O2/c1-15-19(12-17-5-3-4-6-20(15)17)14-26(2)22(28)10-7-16-11-18-8-9-21(27)25-23(18)24-13-16/h3-7,10-11,13H,8-9,12,14H2,1-2H3,(H,24,25,27)
InChIKeyGPADCNLCKDHJRI-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.47
Rot. Bonds4

About 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

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 (PubChem CID 66780186) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1H-inden-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
PubChem CID66780186
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-methyl-N-[(3-methyl-1H-inden-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCC1=C(CN(C)C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)Cc2ccccc21
InChIInChI=1S/C23H23N3O2/c1-15-19(12-17-5-3-4-6-20(15)17)14-26(2)22(28)10-7-16-11-18-8-9-21(27)25-23(18)24-13-16/h3-7,10-11,13H,8-9,12,14H2,1-2H3,(H,24,25,27)
InChIKeyGPADCNLCKDHJRI-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
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-methyl-N-[(3-methyl-1H-inden-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(CN(C)C(=O)C=Cc2cnc3c(c2)CCC(=O)N3)Cc2ccccc21.
What is the InChIKey of 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?
The InChIKey is GPADCNLCKDHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-19(12-17-5-3-4-6-20(15)17)14-26(2)22(28)10-7-16-11-18-8-9-21(27)25-23(18)24-13-16/h3-7,10-11,13H,8-9,12,14H2,1-2H3,(H,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 373.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66780186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).