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

C19H18Cl2N2O4 — CID 23475766

IUPACmethyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1c(Cl)cccc1Cl)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C19H18Cl2N2O4/c1-3-5-9-8-12-14(18(24)23-9)15(13-10(20)6-4-7-11(13)21)16(17(22)27-12)19(25)26-2/h4,6-8,15H,3,5,22H2,1-2H3,(H,23,24)
InChIKeyKTKNNDAUUDNDRW-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.50
Rot. Bonds4

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

methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475766) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475766
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Namemethyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1c(Cl)cccc1Cl)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C19H18Cl2N2O4/c1-3-5-9-8-12-14(18(24)23-9)15(13-10(20)6-4-7-11(13)21)16(17(22)27-12)19(25)26-2/h4,6-8,15H,3,5,22H2,1-2H3,(H,23,24)
InChIKeyKTKNNDAUUDNDRW-UHFFFAOYSA-N
XLogP3.50
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (CID 23475766) is methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is CCCc1cc2c(c(=O)[nH]1)C(c1c(Cl)cccc1Cl)C(C(=O)OC)=C(N)O2.
What is the InChIKey of methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is KTKNNDAUUDNDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-3-5-9-8-12-14(18(24)23-9)15(13-10(20)6-4-7-11(13)21)16(17(22)27-12)19(25)26-2/h4,6-8,15H,3,5,22H2,1-2H3,(H,23,24).
What are the key properties of methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 409.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).