N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide

C23H21ClFN3O2S — CID 25294645

IUPACN-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cccs1)CCN(C(=O)Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C23H21ClFN3O2S/c1-14-19(12-27-23(30)21-3-2-8-31-21)18-6-7-28(13-16(18)11-26-14)22(29)9-15-4-5-17(25)10-20(15)24/h2-5,8,10-11H,6-7,9,12-13H2,1H3,(H,27,30)
InChIKeyVSLCYBWIIIHNOK-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.30
Rot. Bonds5

About N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide

N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 25294645) has the molecular formula C23H21ClFN3O2S and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID25294645
Molecular FormulaC23H21ClFN3O2S
Molecular Weight457.96 g/mol
Exact Mass457.10
IUPAC NameN-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cccs1)CCN(C(=O)Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C23H21ClFN3O2S/c1-14-19(12-27-23(30)21-3-2-8-31-21)18-6-7-28(13-16(18)11-26-14)22(29)9-15-4-5-17(25)10-20(15)24/h2-5,8,10-11H,6-7,9,12-13H2,1H3,(H,27,30)
InChIKeyVSLCYBWIIIHNOK-UHFFFAOYSA-N
XLogP4.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42171775
N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 26346929
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-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
CID 45251504
N-[[7-[2-(2-chlorophenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
CID 26277388
5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
CID 42440247
N-[[3-methyl-7-(3-methylsulfanylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170957
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-(thiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenoxypropanamide
CID 26360754
N-[[7-[2-(1,3-dioxoisoindol-2-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118756876
2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
CID 42422113
N-[[3-methyl-7-(1-methylcyclohexanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 126463113

Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide (CID 25294645) is N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide is Cc1ncc2c(c1CNC(=O)c1cccs1)CCN(C(=O)Cc1ccc(F)cc1Cl)C2.
What is the InChIKey of N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is VSLCYBWIIIHNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2S/c1-14-19(12-27-23(30)21-3-2-8-31-21)18-6-7-28(13-16(18)11-26-14)22(29)9-15-4-5-17(25)10-20(15)24/h2-5,8,10-11H,6-7,9,12-13H2,1H3,(H,27,30).
What are the key properties of N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide?
N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).