1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide

C24H24N4O4S — CID 134254011

IUPAC1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCSc1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C24H24N4O4S/c1-33-19-7-5-16(6-8-19)14-26-23(30)20-9-10-21-24(27-20)31-12-11-28(21)17-3-2-4-18(13-17)32-15-22(25)29/h2-10,13H,11-12,14-15H2,1H3,(H2,25,29)(H,26,30)
InChIKeyBHPYHRQVRMVKKJ-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.13
Rot. Bonds8

About 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide

1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide (PubChem CID 134254011) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
PubChem CID134254011
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCSc1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C24H24N4O4S/c1-33-19-7-5-16(6-8-19)14-26-23(30)20-9-10-21-24(27-20)31-12-11-28(21)17-3-2-4-18(13-17)32-15-22(25)29/h2-10,13H,11-12,14-15H2,1H3,(H2,25,29)(H,26,30)
InChIKeyBHPYHRQVRMVKKJ-UHFFFAOYSA-N
XLogP3.13
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 134253867
1-(3,5-dicyclopropylphenyl)-N-[(4-sulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 142286458
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134254100
4-(3,4-dimethoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134253858
4-[3-(1-cyanocyclopropyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134254112
1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 142286320
N-[(4-aminosulfanylphenyl)methyl]-4-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134253915
5-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-8-carboxamide
CID 142286455
1-(3,5-dicyclopropylphenyl)-N-[(5-ethylsulfinyl-2-pyridinyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 134253827
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55970144
4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 156571590
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190371

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The IUPAC name of 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide (CID 134254011) is 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide is CSc1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2cccc(OCC(N)=O)c2)cc1.
What is the InChIKey of 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The InChIKey is BHPYHRQVRMVKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-33-19-7-5-16(6-8-19)14-26-23(30)20-9-10-21-24(27-20)31-12-11-28(21)17-3-2-4-18(13-17)32-15-22(25)29/h2-10,13H,11-12,14-15H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 134254011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).