3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide

C21H25N3O3 — CID 3707993

IUPAC3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
SMILESCC1(C)Cc2c(c(-c3ccccc3)nc(N3CCOCC3)c2C(N)=O)CO1
InChIInChI=1S/C21H25N3O3/c1-21(2)12-15-16(13-27-21)18(14-6-4-3-5-7-14)23-20(17(15)19(22)25)24-8-10-26-11-9-24/h3-7H,8-13H2,1-2H3,(H2,22,25)
InChIKeyFZEICVXUOHRJDY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds3

About 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide

3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide (PubChem CID 3707993) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
PubChem CID3707993
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
SMILESCC1(C)Cc2c(c(-c3ccccc3)nc(N3CCOCC3)c2C(N)=O)CO1
InChIInChI=1S/C21H25N3O3/c1-21(2)12-15-16(13-27-21)18(14-6-4-3-5-7-14)23-20(17(15)19(22)25)24-8-10-26-11-9-24/h3-7H,8-13H2,1-2H3,(H2,22,25)
InChIKeyFZEICVXUOHRJDY-UHFFFAOYSA-N
XLogP2.54
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The IUPAC name of 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide (CID 3707993) is 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide is CC1(C)Cc2c(c(-c3ccccc3)nc(N3CCOCC3)c2C(N)=O)CO1.
What is the InChIKey of 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The InChIKey is FZEICVXUOHRJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(2)12-15-16(13-27-21)18(14-6-4-3-5-7-14)23-20(17(15)19(22)25)24-8-10-26-11-9-24/h3-7H,8-13H2,1-2H3,(H2,22,25).
What are the key properties of 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-morpholin-4-yl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 3707993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).