methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate

C22H23N3O4 — CID 23475691

IUPACmethyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate
SMILESCCCc1cc2c(c(=O)n1CC)C(c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H23N3O4/c1-4-6-15-11-17-19(21(26)25(15)5-2)18(16(12-23)20(24)29-17)13-7-9-14(10-8-13)22(27)28-3/h7-11,18H,4-6,24H2,1-3H3
InChIKeyZMOYELYIAOFRQY-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.83
Rot. Bonds5

About methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate

methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate (PubChem CID 23475691) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate
PubChem CID23475691
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namemethyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate
SMILESCCCc1cc2c(c(=O)n1CC)C(c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C22H23N3O4/c1-4-6-15-11-17-19(21(26)25(15)5-2)18(16(12-23)20(24)29-17)13-7-9-14(10-8-13)22(27)28-3/h7-11,18H,4-6,24H2,1-3H3
InChIKeyZMOYELYIAOFRQY-UHFFFAOYSA-N
XLogP2.83
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475741
2-amino-4-(3,4-dichlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475716
2-amino-4-(4-chlorophenyl)-5-oxo-6-(oxolan-2-ylmethyl)-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475668
methyl 2-amino-6-ethyl-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475843
2-amino-6-methyl-4-(4-nitrophenyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475586
2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475609
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475837
methyl (4R)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 708912
2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475710
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475711
2-amino-6-[2-(dimethylamino)ethyl]-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475734
methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475778

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate?
The IUPAC name of methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate (CID 23475691) is methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate.
What is the SMILES notation for methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate?
The canonical SMILES for methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate is CCCc1cc2c(c(=O)n1CC)C(c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2.
What is the InChIKey of methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate?
The InChIKey is ZMOYELYIAOFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-6-15-11-17-19(21(26)25(15)5-2)18(16(12-23)20(24)29-17)13-7-9-14(10-8-13)22(27)28-3/h7-11,18H,4-6,24H2,1-3H3.
What are the key properties of methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate?
methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate has a molecular weight of 393.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate is sourced from PubChem (CID 23475691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).