N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C22H21FN4O3S — CID 42322455

IUPACN-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cncs3)C2)cc1F
InChIInChI=1S/C22H21FN4O3S/c1-13-17(9-26-21(28)20-10-24-12-31-20)16-5-6-27(11-15(16)8-25-13)22(29)14-3-4-19(30-2)18(23)7-14/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,26,28)
InChIKeyNAVILBKVIJRJGF-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.12
Rot. Bonds5

About N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 42322455) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID42322455
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC NameN-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cncs3)C2)cc1F
InChIInChI=1S/C22H21FN4O3S/c1-13-17(9-26-21(28)20-10-24-12-31-20)16-5-6-27(11-15(16)8-25-13)22(29)14-3-4-19(30-2)18(23)7-14/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,26,28)
InChIKeyNAVILBKVIJRJGF-UHFFFAOYSA-N
XLogP3.12
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 42322455) is N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is COc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cncs3)C2)cc1F.
What is the InChIKey of N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NAVILBKVIJRJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c1-13-17(9-26-21(28)20-10-24-12-31-20)16-5-6-27(11-15(16)8-25-13)22(29)14-3-4-19(30-2)18(23)7-14/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,26,28).
What are the key properties of N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-fluoro-4-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42322455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).