7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C22H24N4O2 — CID 112529746

IUPAC7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)NCCc2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-14-17(19-5-3-4-6-21(19)25-14)7-9-24-22(28)20-12-23-11-16-13-26(15(2)27)10-8-18(16)20/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,24,28)
InChIKeyJMWQLEKMQWCJPK-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.75
Rot. Bonds4

About 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112529746) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112529746
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)NCCc2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-14-17(19-5-3-4-6-21(19)25-14)7-9-24-22(28)20-12-23-11-16-13-26(15(2)27)10-8-18(16)20/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,24,28)
InChIKeyJMWQLEKMQWCJPK-UHFFFAOYSA-N
XLogP2.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112529746) is 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CC(=O)N1CCc2c(cncc2C(=O)NCCc2c(C)[nH]c3ccccc23)C1.
What is the InChIKey of 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is JMWQLEKMQWCJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-17(19-5-3-4-6-21(19)25-14)7-9-24-22(28)20-12-23-11-16-13-26(15(2)27)10-8-18(16)20/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,24,28).
What are the key properties of 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112529746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).