(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide

C22H24N4O — CID 6539893

IUPAC(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CCCN2
InChIInChI=1S/C22H24N4O/c1-25(15-19-13-17-6-3-4-8-20(17)26(19)2)21(27)10-9-16-12-18-7-5-11-23-22(18)24-14-16/h3-4,6,8-10,12-14H,5,7,11,15H2,1-2H3,(H,23,24)/b10-9+
InChIKeyYWRXDGYUFPGSDH-MDZDMXLPSA-N
MW360.46 g/mol
LogP3.60
Rot. Bonds4

About (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide

(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide (PubChem CID 6539893) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
PubChem CID6539893
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CCCN2
InChIInChI=1S/C22H24N4O/c1-25(15-19-13-17-6-3-4-8-20(17)26(19)2)21(27)10-9-16-12-18-7-5-11-23-22(18)24-14-16/h3-4,6,8-10,12-14H,5,7,11,15H2,1-2H3,(H,23,24)/b10-9+
InChIKeyYWRXDGYUFPGSDH-MDZDMXLPSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide (CID 6539893) is (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide is CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CCCN2.
What is the InChIKey of (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide?
The InChIKey is YWRXDGYUFPGSDH-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25(15-19-13-17-6-3-4-8-20(17)26(19)2)21(27)10-9-16-12-18-7-5-11-23-22(18)24-14-16/h3-4,6,8-10,12-14H,5,7,11,15H2,1-2H3,(H,23,24)/b10-9+.
What are the key properties of (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide?
(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide has a molecular weight of 360.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 6539893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).