ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate

C20H21ClN2O4 — CID 23475758

IUPACethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1ccc(Cl)cc1)C(C(=O)OCC)=C(N)O2
InChIInChI=1S/C20H21ClN2O4/c1-3-5-13-10-14-16(19(24)23-13)15(11-6-8-12(21)9-7-11)17(18(22)27-14)20(25)26-4-2/h6-10,15H,3-5,22H2,1-2H3,(H,23,24)
InChIKeyYJZHSKDEZXXIOH-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.24
Rot. Bonds5

About ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate

ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475758) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475758
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Nameethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1ccc(Cl)cc1)C(C(=O)OCC)=C(N)O2
InChIInChI=1S/C20H21ClN2O4/c1-3-5-13-10-14-16(19(24)23-13)15(11-6-8-12(21)9-7-11)17(18(22)27-14)20(25)26-4-2/h6-10,15H,3-5,22H2,1-2H3,(H,23,24)
InChIKeyYJZHSKDEZXXIOH-UHFFFAOYSA-N
XLogP3.24
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 930757
methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475766
ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 7184062
ethyl 2-amino-7-methyl-5-oxo-4-pyridin-4-yl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 667149
2-amino-4-(3-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 23475347
methyl (4S)-2-amino-4-(3-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 2040701
ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475077
ethyl 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 4160314
ethyl (4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate
CID 696097
ethyl (4R)-2-amino-4-(4-chlorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate
CID 7311021
(4S)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 6560114
ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 17340859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (CID 23475758) is ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is CCCc1cc2c(c(=O)[nH]1)C(c1ccc(Cl)cc1)C(C(=O)OCC)=C(N)O2.
What is the InChIKey of ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is YJZHSKDEZXXIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-3-5-13-10-14-16(19(24)23-13)15(11-6-8-12(21)9-7-11)17(18(22)27-14)20(25)26-4-2/h6-10,15H,3-5,22H2,1-2H3,(H,23,24).
What are the key properties of ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 388.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).