1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide

C29H31N3O2S — CID 134253867

IUPAC1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCCSc1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2cc(C3CC3)cc(C3CC3)c2)cc1
InChIInChI=1S/C29H31N3O2S/c1-2-35-25-9-3-19(4-10-25)18-30-28(33)26-11-12-27-29(31-26)34-14-13-32(27)24-16-22(20-5-6-20)15-23(17-24)21-7-8-21/h3-4,9-12,15-17,20-21H,2,5-8,13-14,18H2,1H3,(H,30,33)
InChIKeyMKGVNMHYWSXKNC-UHFFFAOYSA-N
MW485.65 g/mol
LogP6.41
Rot. Bonds8

About 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide

1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide (PubChem CID 134253867) has the molecular formula C29H31N3O2S and a molecular weight of 485.65 g/mol. Its IUPAC name is 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
PubChem CID134253867
Molecular FormulaC29H31N3O2S
Molecular Weight485.65 g/mol
Exact Mass485.21
IUPAC Name1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCCSc1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2cc(C3CC3)cc(C3CC3)c2)cc1
InChIInChI=1S/C29H31N3O2S/c1-2-35-25-9-3-19(4-10-25)18-30-28(33)26-11-12-27-29(31-26)34-14-13-32(27)24-16-22(20-5-6-20)15-23(17-24)21-7-8-21/h3-4,9-12,15-17,20-21H,2,5-8,13-14,18H2,1H3,(H,30,33)
InChIKeyMKGVNMHYWSXKNC-UHFFFAOYSA-N
XLogP6.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 56.41
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
4-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 156571472
4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 156571590
1-(3,5-dicyclopropylphenyl)-N-[(5-ethylsulfinyl-2-pyridinyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 134253827
1-(4-cyclobutylphenyl)-N-[(4-methylsulfinylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 142286320
1-[3-(2-amino-2-oxoethoxy)phenyl]-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 134254011
5-(3,5-dicyclopropyl-N-methylanilino)-N-[(4-ethylsulfanylphenyl)methyl]pyridine-2-carboxamide
CID 156578534
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134254100
2-[[1-(2,6-dicyclopropyl-4-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carbonyl]amino]-2-(4-methylsulfonylphenyl)propanoic acid
CID 134249310
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
N-[(4-aminosulfanylphenyl)methyl]-4-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 134253915
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The IUPAC name of 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide (CID 134253867) is 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide is CCSc1ccc(CNC(=O)c2ccc3c(n2)OCCN3c2cc(C3CC3)cc(C3CC3)c2)cc1.
What is the InChIKey of 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
The InChIKey is MKGVNMHYWSXKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2S/c1-2-35-25-9-3-19(4-10-25)18-30-28(33)26-11-12-27-29(31-26)34-14-13-32(27)24-16-22(20-5-6-20)15-23(17-24)21-7-8-21/h3-4,9-12,15-17,20-21H,2,5-8,13-14,18H2,1H3,(H,30,33).
What are the key properties of 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide?
1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dicyclopropylphenyl)-N-[(4-ethylsulfanylphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 134253867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).