N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C24H28N4O4S — CID 45246633

IUPACN-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)C1CC(=O)OC13CCCCC3)C2
InChIInChI=1S/C24H28N4O4S/c1-15-18(11-27-22(30)20-12-25-14-33-20)17-5-8-28(13-16(17)10-26-15)23(31)19-9-21(29)32-24(19)6-3-2-4-7-24/h10,12,14,19H,2-9,11,13H2,1H3,(H,27,30)
InChIKeyNTKFGHOKCQYKFA-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.93
Rot. Bonds4

About N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 45246633) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID45246633
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)C1CC(=O)OC13CCCCC3)C2
InChIInChI=1S/C24H28N4O4S/c1-15-18(11-27-22(30)20-12-25-14-33-20)17-5-8-28(13-16(17)10-26-15)23(31)19-9-21(29)32-24(19)6-3-2-4-7-24/h10,12,14,19H,2-9,11,13H2,1H3,(H,27,30)
InChIKeyNTKFGHOKCQYKFA-UHFFFAOYSA-N
XLogP2.93
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

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
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
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-(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-(1-methylcyclohexanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 126463113
(E)-3-(2-fluorophenyl)-N-[[3-methyl-7-(1,3-thiazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]prop-2-enamide
CID 42319199
4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131941781
N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42479714
2-methyl-N-[[3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 42276952
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-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 118757221

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 45246633) is N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)C1CC(=O)OC13CCCCC3)C2.
What is the InChIKey of N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NTKFGHOKCQYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15-18(11-27-22(30)20-12-25-14-33-20)17-5-8-28(13-16(17)10-26-15)23(31)19-9-21(29)32-24(19)6-3-2-4-7-24/h10,12,14,19H,2-9,11,13H2,1H3,(H,27,30).
What are the key properties of N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45246633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).