5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C14H14N6OS — CID 46984766

IUPAC5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCc1nsc(NC(=O)N2CCc3c(cnc(C)c3C#N)C2)n1
InChIInChI=1S/C14H14N6OS/c1-8-12(5-15)11-3-4-20(7-10(11)6-16-8)14(21)18-13-17-9(2)19-22-13/h6H,3-4,7H2,1-2H3,(H,17,18,19,21)
InChIKeyPCDMZDUINURLPU-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.01
Rot. Bonds1

About 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 46984766) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID46984766
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCc1nsc(NC(=O)N2CCc3c(cnc(C)c3C#N)C2)n1
InChIInChI=1S/C14H14N6OS/c1-8-12(5-15)11-3-4-20(7-10(11)6-16-8)14(21)18-13-17-9(2)19-22-13/h6H,3-4,7H2,1-2H3,(H,17,18,19,21)
InChIKeyPCDMZDUINURLPU-UHFFFAOYSA-N
XLogP2.01
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 46984766) is 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is Cc1nsc(NC(=O)N2CCc3c(cnc(C)c3C#N)C2)n1.
What is the InChIKey of 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is PCDMZDUINURLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-8-12(5-15)11-3-4-20(7-10(11)6-16-8)14(21)18-13-17-9(2)19-22-13/h6H,3-4,7H2,1-2H3,(H,17,18,19,21).
What are the key properties of 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 46984766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).