4-amino-2-methylchromeno[3,4-c]pyridin-5-one

C13H10N2O2 — CID 659209

IUPAC4-amino-2-methylchromeno[3,4-c]pyridin-5-one
SMILESCc1cc2c(c(N)n1)c(=O)oc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7-6-9-8-4-2-3-5-10(8)17-13(16)11(9)12(14)15-7/h2-6H,1H3,(H2,14,15)
InChIKeyIBYKUFVAOHGLRZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.23
Rot. Bonds

About 4-amino-2-methylchromeno[3,4-c]pyridin-5-one

4-amino-2-methylchromeno[3,4-c]pyridin-5-one (PubChem CID 659209) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-amino-2-methylchromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name4-amino-2-methylchromeno[3,4-c]pyridin-5-one
PubChem CID659209
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name4-amino-2-methylchromeno[3,4-c]pyridin-5-one
SMILESCc1cc2c(c(N)n1)c(=O)oc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7-6-9-8-4-2-3-5-10(8)17-13(16)11(9)12(14)15-7/h2-6H,1H3,(H2,14,15)
InChIKeyIBYKUFVAOHGLRZ-UHFFFAOYSA-N
XLogP2.23
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,4-dimethyl-5-oxo-5H-chromeno[3,4-c]pyridine-1-carboxylate
CID 1508705
N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide
CID 614608
N-(2-butyl-5-oxo-5H-chromeno[3,4-c]pyridin-4-yl)propanamide
CID 2059938
2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
CID 3558784
5H-1 Benzopyrano 2,3-b pyridin-5-one, 2-(Dimethylamino)-
CID 360210
7-amino-10,11,12,13-tetrahydrochromeno[4,3-d]cyclohepta[b]pyridin-6(9H)-one
CID 702168
1,3-Dimethyl-10-oxo-10H-9-oxa-4-aza-phenanthrene-2-carboxylic acid ethyl ester
CID 766691
4-Amino-1-methyl-5h-chromeno[3,4-c]pyridin-5-one
CID 780919
N-[2-(3-methylbutyl)-5-oxo-5H-chromeno[3,4-c]pyridin-4-yl]acetamide
CID 977348
5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 2392552
3,3-dimethyl-N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)butanamide
CID 3236750
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)pentanamide
CID 3241673

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylchromeno[3,4-c]pyridin-5-one?
The IUPAC name of 4-amino-2-methylchromeno[3,4-c]pyridin-5-one (CID 659209) is 4-amino-2-methylchromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 4-amino-2-methylchromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 4-amino-2-methylchromeno[3,4-c]pyridin-5-one is Cc1cc2c(c(N)n1)c(=O)oc1ccccc12.
What is the InChIKey of 4-amino-2-methylchromeno[3,4-c]pyridin-5-one?
The InChIKey is IBYKUFVAOHGLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-6-9-8-4-2-3-5-10(8)17-13(16)11(9)12(14)15-7/h2-6H,1H3,(H2,14,15).
What are the key properties of 4-amino-2-methylchromeno[3,4-c]pyridin-5-one?
4-amino-2-methylchromeno[3,4-c]pyridin-5-one has a molecular weight of 226.23 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylchromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 659209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).