7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C21H21N5OS — CID 30957647

IUPAC7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCOc1ccccc1Nc1ncc(CN2CCc3c(cnc(C)c3C#N)C2)s1
InChIInChI=1S/C21H21N5OS/c1-14-18(9-22)17-7-8-26(12-15(17)10-23-14)13-16-11-24-21(28-16)25-19-5-3-4-6-20(19)27-2/h3-6,10-11H,7-8,12-13H2,1-2H3,(H,24,25)
InChIKeyOUFYZGUMZHKNRT-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.03
Rot. Bonds5

About 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 30957647) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID30957647
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCOc1ccccc1Nc1ncc(CN2CCc3c(cnc(C)c3C#N)C2)s1
InChIInChI=1S/C21H21N5OS/c1-14-18(9-22)17-7-8-26(12-15(17)10-23-14)13-16-11-24-21(28-16)25-19-5-3-4-6-20(19)27-2/h3-6,10-11H,7-8,12-13H2,1-2H3,(H,24,25)
InChIKeyOUFYZGUMZHKNRT-UHFFFAOYSA-N
XLogP4.03
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 30957647) is 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is COc1ccccc1Nc1ncc(CN2CCc3c(cnc(C)c3C#N)C2)s1.
What is the InChIKey of 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is OUFYZGUMZHKNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-14-18(9-22)17-7-8-26(12-15(17)10-23-14)13-16-11-24-21(28-16)25-19-5-3-4-6-20(19)27-2/h3-6,10-11H,7-8,12-13H2,1-2H3,(H,24,25).
What are the key properties of 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 391.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-methoxyanilino)-1,3-thiazol-5-yl]methyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 30957647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).