N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide

C29H27N3O3S — CID 25295566

IUPACN-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide
SMILESCc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)c1ccc(-c3ccco3)cc1)C2
InChIInChI=1S/C29H27N3O3S/c1-20-26(17-31-28(33)19-36-24-6-3-2-4-7-24)25-13-14-32(18-23(25)16-30-20)29(34)22-11-9-21(10-12-22)27-8-5-15-35-27/h2-12,15-16H,13-14,17-19H2,1H3,(H,31,33)
InChIKeyAISHOPRMLLVAAB-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.26
Rot. Bonds7

About N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide

N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide (PubChem CID 25295566) has the molecular formula C29H27N3O3S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide
PubChem CID25295566
Molecular FormulaC29H27N3O3S
Molecular Weight497.62 g/mol
Exact Mass497.18
IUPAC NameN-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide
SMILESCc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)c1ccc(-c3ccco3)cc1)C2
InChIInChI=1S/C29H27N3O3S/c1-20-26(17-31-28(33)19-36-24-6-3-2-4-7-24)25-13-14-32(18-23(25)16-30-20)29(34)22-11-9-21(10-12-22)27-8-5-15-35-27/h2-12,15-16H,13-14,17-19H2,1H3,(H,31,33)
InChIKeyAISHOPRMLLVAAB-UHFFFAOYSA-N
XLogP5.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide (CID 25295566) is N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide is Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)c1ccc(-c3ccco3)cc1)C2.
What is the InChIKey of N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide?
The InChIKey is AISHOPRMLLVAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3S/c1-20-26(17-31-28(33)19-36-24-6-3-2-4-7-24)25-13-14-32(18-23(25)16-30-20)29(34)22-11-9-21(10-12-22)27-8-5-15-35-27/h2-12,15-16H,13-14,17-19H2,1H3,(H,31,33).
What are the key properties of N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide?
N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide has a molecular weight of 497.62 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 25295566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).