2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

C20H22N4OS — CID 660357

IUPAC2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1
InChIInChI=1S/C20H22N4OS/c1-14(15-6-4-3-5-7-15)22-19(25)13-26-20-16(11-21)10-17-12-24(2)9-8-18(17)23-20/h3-7,10,14H,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyVLOAMKXOHBTEKY-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.91
Rot. Bonds5

About 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 660357) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID660357
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1
InChIInChI=1S/C20H22N4OS/c1-14(15-6-4-3-5-7-15)22-19(25)13-26-20-16(11-21)10-17-12-24(2)9-8-18(17)23-20/h3-7,10,14H,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyVLOAMKXOHBTEKY-UHFFFAOYSA-N
XLogP2.91
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 660357) is 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1.
What is the InChIKey of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is VLOAMKXOHBTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14(15-6-4-3-5-7-15)22-19(25)13-26-20-16(11-21)10-17-12-24(2)9-8-18(17)23-20/h3-7,10,14H,8-9,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 660357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).