1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide

C26H27N3O3S — CID 142286320

IUPAC1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCS(=O)c1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C26H27N3O3S/c1-33(31)22-11-5-18(6-12-22)17-27-25(30)23-13-14-24-26(28-23)32-16-15-29(24)21-9-7-20(8-10-21)19-3-2-4-19/h5-14,19H,2-4,15-17H2,1H3,(H,27,30)
InChIKeyJBXYIQHDHLBXHG-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide

1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide (PubChem CID 142286320) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
PubChem CID142286320
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCS(=O)c1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C26H27N3O3S/c1-33(31)22-11-5-18(6-12-22)17-27-25(30)23-13-14-24-26(28-23)32-16-15-29(24)21-9-7-20(8-10-21)19-3-2-4-19/h5-14,19H,2-4,15-17H2,1H3,(H,27,30)
InChIKeyJBXYIQHDHLBXHG-UHFFFAOYSA-N
XLogP4.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dicyclopropylphenyl)-N-[(4-sulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 142286458
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-[(5-ethylsulfinyl-2-pyridinyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 134253827
4-(4-tert-butylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134254009
1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 134254011
N-[(4-methylsulfinylphenyl)methyl]-5-[4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-8-carboxamide
CID 134254024
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
4-(4-methylnaphthalen-1-yl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134253925
3-(4-cyclohexylphenyl)-1,3-oxazolidin-2-one
CID 170782737
5-isoquinolin-5-yl-N-[(4-methylsulfinylphenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-8-carboxamide
CID 134253926
2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 53195349

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The IUPAC name of 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide (CID 142286320) is 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide is CS(=O)c1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2ccc(C3CCC3)cc2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The InChIKey is JBXYIQHDHLBXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-33(31)22-11-5-18(6-12-22)17-27-25(30)23-13-14-24-26(28-23)32-16-15-29(24)21-9-7-20(8-10-21)19-3-2-4-19/h5-14,19H,2-4,15-17H2,1H3,(H,27,30).
What are the key properties of 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 142286320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).