N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide

C20H28N4O4S — CID 26346320

IUPACN-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)Cc1c(C)noc1C)C2
InChIInChI=1S/C20H28N4O4S/c1-5-8-29(26,27)22-11-19-13(2)21-10-16-12-24(7-6-17(16)19)20(25)9-18-14(3)23-28-15(18)4/h10,22H,5-9,11-12H2,1-4H3
InChIKeySTUZCDYXQPGFSB-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.95
Rot. Bonds7

About N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide

N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide (PubChem CID 26346320) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
PubChem CID26346320
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)Cc1c(C)noc1C)C2
InChIInChI=1S/C20H28N4O4S/c1-5-8-29(26,27)22-11-19-13(2)21-10-16-12-24(7-6-17(16)19)20(25)9-18-14(3)23-28-15(18)4/h10,22H,5-9,11-12H2,1-4H3
InChIKeySTUZCDYXQPGFSB-UHFFFAOYSA-N
XLogP1.95
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide with MolForge

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Related Compounds

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-(2,3,6-trifluorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 42340710
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
N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499
N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 56853616
N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide
CID 26348763
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42340437
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 56853671
N-[[7-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 26282114
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-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42379499

Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide (CID 26346320) is N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)Cc1c(C)noc1C)C2.
What is the InChIKey of N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The InChIKey is STUZCDYXQPGFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-5-8-29(26,27)22-11-19-13(2)21-10-16-12-24(7-6-17(16)19)20(25)9-18-14(3)23-28-15(18)4/h10,22H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 26346320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).