methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate

C22H23ClN2O5 — CID 666614

IUPACmethyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5/c1-12-10-16-18(21(26)25(12)11-15-4-3-9-29-15)17(13-5-7-14(23)8-6-13)19(20(24)30-16)22(27)28-2/h5-8,10,15,17H,3-4,9,11,24H2,1-2H3
InChIKeyUJHXXLFVTXHFBH-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate

methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 666614) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID666614
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Namemethyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5/c1-12-10-16-18(21(26)25(12)11-15-4-3-9-29-15)17(13-5-7-14(23)8-6-13)19(20(24)30-16)22(27)28-2/h5-8,10,15,17H,3-4,9,11,24H2,1-2H3
InChIKeyUJHXXLFVTXHFBH-UHFFFAOYSA-N
XLogP2.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666250
methyl 2-amino-4-(3,4-dichlorophenyl)-7-methyl-5-oxo-6-((tetrahydrofuran-2-yl)methyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4898345
methyl 2-amino-6-ethyl-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4970140
8-(4-Chlorophenyl)-13-ethyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione
CID 16822024
methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4371989
methyl 2-amino-4-(4-chlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666681
Benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694374
Cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694423
(4-Chlorophenyl)methyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694501
3-Phenylpropyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694569
methyl 2-amino-7-methyl-5-oxo-4-phenyl-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666370
methyl 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4352573

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 666614) is methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is UJHXXLFVTXHFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-12-10-16-18(21(26)25(12)11-15-4-3-9-29-15)17(13-5-7-14(23)8-6-13)19(20(24)30-16)22(27)28-2/h5-8,10,15,17H,3-4,9,11,24H2,1-2H3.
What are the key properties of methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 430.89 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 666614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).