N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide

C25H28N4O4S — CID 20895502

IUPACN-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1
InChIInChI=1S/C25H28N4O4S/c1-16(30)17-4-6-18(7-5-17)27-22(31)15-34-24-20(13-26)19-12-25(2,3)33-14-21(19)23(28-24)29-8-10-32-11-9-29/h4-7H,8-12,14-15H2,1-3H3,(H,27,31)
InChIKeyZGMMMTXJUOZJEJ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.57
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide

N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide (PubChem CID 20895502) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide
PubChem CID20895502
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1
InChIInChI=1S/C25H28N4O4S/c1-16(30)17-4-6-18(7-5-17)27-22(31)15-34-24-20(13-26)19-12-25(2,3)33-14-21(19)23(28-24)29-8-10-32-11-9-29/h4-7H,8-12,14-15H2,1-3H3,(H,27,31)
InChIKeyZGMMMTXJUOZJEJ-UHFFFAOYSA-N
XLogP3.57
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide (CID 20895502) is N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide?
The InChIKey is ZGMMMTXJUOZJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-16(30)17-4-6-18(7-5-17)27-22(31)15-34-24-20(13-26)19-12-25(2,3)33-14-21(19)23(28-24)29-8-10-32-11-9-29/h4-7H,8-12,14-15H2,1-3H3,(H,27,31).
What are the key properties of N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide has a molecular weight of 480.59 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 20895502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).