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

About 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

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 (PubChem CID 66967830) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	66967830
Molecular Formula	C23H24N4O2
Molecular Weight	388.47 g/mol
Exact Mass	388.19
IUPAC Name	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
SMILES	Cc1cc2[nH]cc(C)c2cc1CN(C)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2
InChI	InChI=1S/C23H24N4O2/c1-14-8-20-19(15(2)11-24-20)10-18(14)13-27(3)22(29)7-4-16-9-17-5-6-21(28)26-23(17)25-12-16/h4,7-12,24H,5-6,13H2,1-3H3,(H,25,26,28)
InChIKey	UIUFMOCYGLPNFW-UHFFFAOYSA-N
XLogP	3.74
TPSA	78.09 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc2[nH]cc(C)c2cc1CN(C)C(=O)C=Cc1cnc2c(c1)CCC(=O)N2.

What is the InChIKey of 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?

The InChIKey is UIUFMOCYGLPNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-8-20-19(15(2)11-24-20)10-18(14)13-27(3)22(29)7-4-16-9-17-5-6-21(28)26-23(17)25-12-16/h4,7-12,24H,5-6,13H2,1-3H3,(H,25,26,28).

What are the key properties of 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?

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 has a molecular weight of 388.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 66967830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).