N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

C25H27N3OS — CID 126466083

IUPACN-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C25H27N3OS/c1-17-24(14-27-25(29)10-18-7-9-30-16-18)23-6-8-28(15-21(23)13-26-17)22-11-19-4-2-3-5-20(19)12-22/h2-5,7,9,13,16,22H,6,8,10-12,14-15H2,1H3,(H,27,29)
InChIKeyDTPOIQNYPUSZDM-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.84
Rot. Bonds5

About N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 126466083) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID126466083
Molecular FormulaC25H27N3OS
Molecular Weight417.58 g/mol
Exact Mass417.19
IUPAC NameN-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C25H27N3OS/c1-17-24(14-27-25(29)10-18-7-9-30-16-18)23-6-8-28(15-21(23)13-26-17)22-11-19-4-2-3-5-20(19)12-22/h2-5,7,9,13,16,22H,6,8,10-12,14-15H2,1H3,(H,27,29)
InChIKeyDTPOIQNYPUSZDM-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (CID 126466083) is N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C1Cc3ccccc3C1)C2.
What is the InChIKey of N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is DTPOIQNYPUSZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-17-24(14-27-25(29)10-18-7-9-30-16-18)23-6-8-28(15-21(23)13-26-17)22-11-19-4-2-3-5-20(19)12-22/h2-5,7,9,13,16,22H,6,8,10-12,14-15H2,1H3,(H,27,29).
What are the key properties of N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 417.58 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 126466083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).