N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide

C22H19N3O2S — CID 59212373

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccs3)ccc1C)c(=O)n2C
InChIInChI=1S/C22H19N3O2S/c1-13-6-7-16(24-21(26)20-5-4-8-28-20)11-17(13)18-10-15-12-23-14(2)9-19(15)25(3)22(18)27/h4-12H,1-3H3,(H,24,26)
InChIKeyUAGCHHBNPXTMRA-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.53
Rot. Bonds3

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 59212373) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide
PubChem CID59212373
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccs3)ccc1C)c(=O)n2C
InChIInChI=1S/C22H19N3O2S/c1-13-6-7-16(24-21(26)20-5-4-8-28-20)11-17(13)18-10-15-12-23-14(2)9-19(15)25(3)22(18)27/h4-12H,1-3H3,(H,24,26)
InChIKeyUAGCHHBNPXTMRA-UHFFFAOYSA-N
XLogP4.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-thiophen-2-ylurea
CID 59212524
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 59212300
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]pyridine-2-carboxamide
CID 59212447
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
CID 24954166
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
CID 163459698
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
CID 24951699
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 59212401
N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
CID 59212370
(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide
CID 143662424
5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
CID 59212377
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide
CID 70910893

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide (CID 59212373) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccs3)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is UAGCHHBNPXTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-13-6-7-16(24-21(26)20-5-4-8-28-20)11-17(13)18-10-15-12-23-14(2)9-19(15)25(3)22(18)27/h4-12H,1-3H3,(H,24,26).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 59212373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).