N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

C23H27N5O2S — CID 42407925

IUPACN-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ccn(CCC(=O)N2CCc3c(cnc(C)c3CNC(=O)Cc3ccsc3)C2)n1
InChIInChI=1S/C23H27N5O2S/c1-16-3-8-28(26-16)9-5-23(30)27-7-4-20-19(14-27)12-24-17(2)21(20)13-25-22(29)11-18-6-10-31-15-18/h3,6,8,10,12,15H,4-5,7,9,11,13-14H2,1-2H3,(H,25,29)
InChIKeyWKXBWMYLIZRNPW-UHFFFAOYSA-N
MW437.57 g/mol
LogP2.79
Rot. Bonds7

About N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 42407925) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42407925
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ccn(CCC(=O)N2CCc3c(cnc(C)c3CNC(=O)Cc3ccsc3)C2)n1
InChIInChI=1S/C23H27N5O2S/c1-16-3-8-28(26-16)9-5-23(30)27-7-4-20-19(14-27)12-24-17(2)21(20)13-25-22(29)11-18-6-10-31-15-18/h3,6,8,10,12,15H,4-5,7,9,11,13-14H2,1-2H3,(H,25,29)
InChIKeyWKXBWMYLIZRNPW-UHFFFAOYSA-N
XLogP2.79
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[7-(2,3-dihydro-1H-inden-2-yl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 126466083
N-[[7-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 56858282
N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 42167056
N-[[7-[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 42484073
N-[[3-methyl-7-(3-methylsulfanylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170957
N-[[3-methyl-7-(1-methylcyclohexanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 126463113
2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
CID 42429933
N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42380963
N-[[3-methyl-7-(thiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenoxypropanamide
CID 26360754
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
N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 42319589
N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 42485555

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (CID 42407925) is N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is Cc1ccn(CCC(=O)N2CCc3c(cnc(C)c3CNC(=O)Cc3ccsc3)C2)n1.
What is the InChIKey of N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is WKXBWMYLIZRNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-16-3-8-28(26-16)9-5-23(30)27-7-4-20-19(14-27)12-24-17(2)21(20)13-25-22(29)11-18-6-10-31-15-18/h3,6,8,10,12,15H,4-5,7,9,11,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 437.57 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 42407925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).