N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

C24H24N4O4S2 — CID 26351546

IUPACN-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1csc(SCC(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccc4c(c3)OCO4)C2)n1
InChIInChI=1S/C24H24N4O4S2/c1-14-11-33-24(27-14)34-12-22(29)28-6-5-18-17(10-28)8-25-15(2)19(18)9-26-23(30)16-3-4-20-21(7-16)32-13-31-20/h3-4,7-8,11H,5-6,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeyMHNVJRRFQKMBCH-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.49
Rot. Bonds6

About N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 26351546) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID26351546
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC NameN-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1csc(SCC(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccc4c(c3)OCO4)C2)n1
InChIInChI=1S/C24H24N4O4S2/c1-14-11-33-24(27-14)34-12-22(29)28-6-5-18-17(10-28)8-25-15(2)19(18)9-26-23(30)16-3-4-20-21(7-16)32-13-31-20/h3-4,7-8,11H,5-6,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeyMHNVJRRFQKMBCH-UHFFFAOYSA-N
XLogP3.49
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42341163
N-[[7-[2-(2-chlorophenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42168152
N-[[3-methyl-7-[(2R)-2-phenoxypropanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42171867
N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
CID 45187284
N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 42321195
N-[[3-methyl-7-(3-methylsulfanylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170957
5-acetyl-N-[[7-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
CID 42379874
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55813133
N-[[7-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45166479

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 26351546) is N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is Cc1csc(SCC(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccc4c(c3)OCO4)C2)n1.
What is the InChIKey of N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MHNVJRRFQKMBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-14-11-33-24(27-14)34-12-22(29)28-6-5-18-17(10-28)8-25-15(2)19(18)9-26-23(30)16-3-4-20-21(7-16)32-13-31-20/h3-4,7-8,11H,5-6,9-10,12-13H2,1-2H3,(H,26,30).
What are the key properties of N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 26351546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).