8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide

C20H22N4O5 — CID 157100501

IUPAC8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide
SMILESCC(=O)Nc1nc(C)cc2c1C(=O)OCC2.Cc1cc2c(c(N)n1)C(=O)OCC2
InChIInChI=1S/C11H12N2O3.C9H10N2O2/c1-6-5-8-3-4-16-11(15)9(8)10(12-6)13-7(2)14;1-5-4-6-2-3-13-9(12)7(6)8(10)11-5/h5H,3-4H2,1-2H3,(H,12,13,14);4H,2-3H2,1H3,(H2,10,11)
InChIKeyAFSBWEGSAODBFK-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.75
Rot. Bonds1

About 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide

8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide (PubChem CID 157100501) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide.

Molecular Properties

Compound Name8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide
PubChem CID157100501
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide
SMILESCC(=O)Nc1nc(C)cc2c1C(=O)OCC2.Cc1cc2c(c(N)n1)C(=O)OCC2
InChIInChI=1S/C11H12N2O3.C9H10N2O2/c1-6-5-8-3-4-16-11(15)9(8)10(12-6)13-7(2)14;1-5-4-6-2-3-13-9(12)7(6)8(10)11-5/h5H,3-4H2,1-2H3,(H,12,13,14);4H,2-3H2,1H3,(H2,10,11)
InChIKeyAFSBWEGSAODBFK-UHFFFAOYSA-N
XLogP1.75
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide with MolForge

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Related Compounds

Methyl 4-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamido)benzoate
CID 16008663
6-(benzylamino)-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carboxamide
CID 657585
Ethyl 2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamido)benzoate
CID 16008675
Methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 56737845
Ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 56738092
ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 134962543
ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 134962544
Ethyl 4,6-dimethyl-2-(methylamino)nicotinate
CID 11127499
Ethyl 2-(ethylamino)-4,6-dimethylnicotinate
CID 15421689
Ethyl 2-Amino-4,6-dimethylpyridine-3-carboxylate
CID 11412898
Ethyl 4-{1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidine-5-amido}benzoate
CID 53007730
8-(4-Fluoro-phenylamino)-6-methyl-3,4-dihydro-pyrano[3,4-c]pyridine-1-on
CID 11161595

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide?
The IUPAC name of 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide (CID 157100501) is 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide.
What is the SMILES notation for 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide?
The canonical SMILES for 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide is CC(=O)Nc1nc(C)cc2c1C(=O)OCC2.Cc1cc2c(c(N)n1)C(=O)OCC2.
What is the InChIKey of 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide?
The InChIKey is AFSBWEGSAODBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.C9H10N2O2/c1-6-5-8-3-4-16-11(15)9(8)10(12-6)13-7(2)14;1-5-4-6-2-3-13-9(12)7(6)8(10)11-5/h5H,3-4H2,1-2H3,(H,12,13,14);4H,2-3H2,1H3,(H2,10,11).
What are the key properties of 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide?
8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide has a molecular weight of 398.42 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide is sourced from PubChem (CID 157100501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).