2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide

C23H27N3O4 — CID 42537705

IUPAC2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C23H27N3O4/c1-14(2)21-17-12-30-23(3,4)10-15(17)16(11-24)22(26-21)29-13-20(27)25-18-8-6-7-9-19(18)28-5/h6-9,14H,10,12-13H2,1-5H3,(H,25,27)
InChIKeyGJDHPXFRAHINKU-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.95
Rot. Bonds6

About 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide

2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 42537705) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide
PubChem CID42537705
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C23H27N3O4/c1-14(2)21-17-12-30-23(3,4)10-15(17)16(11-24)22(26-21)29-13-20(27)25-18-8-6-7-9-19(18)28-5/h6-9,14H,10,12-13H2,1-5H3,(H,25,27)
InChIKeyGJDHPXFRAHINKU-UHFFFAOYSA-N
XLogP3.95
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide (CID 42537705) is 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GJDHPXFRAHINKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14(2)21-17-12-30-23(3,4)10-15(17)16(11-24)22(26-21)29-13-20(27)25-18-8-6-7-9-19(18)28-5/h6-9,14H,10,12-13H2,1-5H3,(H,25,27).
What are the key properties of 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide?
2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 42537705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).