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

C26H28ClN3O3S — CID 42484073

IUPACN-[[7-[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2c(cnc(C)c2CNC(=O)Cc2ccsc2)C1
InChIInChI=1S/C26H28ClN3O3S/c1-16-10-21(27)4-5-24(16)33-18(3)26(32)30-8-6-22-20(14-30)12-28-17(2)23(22)13-29-25(31)11-19-7-9-34-15-19/h4-5,7,9-10,12,15,18H,6,8,11,13-14H2,1-3H3,(H,29,31)/t18-/m1/s1
InChIKeyIVVDWBBSULFNJB-GOSISDBHSA-N
MW498.05 g/mol
LogP4.62
Rot. Bonds7

About 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

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 (PubChem CID 42484073) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[7-[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42484073
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC NameN-[[7-[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2c(cnc(C)c2CNC(=O)Cc2ccsc2)C1
InChIInChI=1S/C26H28ClN3O3S/c1-16-10-21(27)4-5-24(16)33-18(3)26(32)30-8-6-22-20(14-30)12-28-17(2)23(22)13-29-25(31)11-19-7-9-34-15-19/h4-5,7,9-10,12,15,18H,6,8,11,13-14H2,1-3H3,(H,29,31)/t18-/m1/s1
InChIKeyIVVDWBBSULFNJB-GOSISDBHSA-N
XLogP4.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42278292
N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45201377
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
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-(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-[(2R)-2-phenoxypropanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42171867
2-(4-chloro-2-methylphenoxy)-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)propan-1-one
CID 56919169
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 55340400
(2S)-2-(2,4-dichlorophenoxy)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 42469955
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2c(cnc(C)c2CNC(=O)Cc2ccsc2)C1.
What is the InChIKey of 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?
The InChIKey is IVVDWBBSULFNJB-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-16-10-21(27)4-5-24(16)33-18(3)26(32)30-8-6-22-20(14-30)12-28-17(2)23(22)13-29-25(31)11-19-7-9-34-15-19/h4-5,7,9-10,12,15,18H,6,8,11,13-14H2,1-3H3,(H,29,31)/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 498.05 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 42484073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).