methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate

C14H13N3O4 — CID 3944363

IUPACmethyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(N)OC(OC)=C(C#N)C1c1ccncc1
InChIInChI=1S/C14H13N3O4/c1-19-13(18)11-10(8-3-5-17-6-4-8)9(7-15)14(20-2)21-12(11)16/h3-6,10H,16H2,1-2H3
InChIKeyLZLBKTNSCIXRDP-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.92
Rot. Bonds3

About methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate

methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate (PubChem CID 3944363) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate
PubChem CID3944363
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Namemethyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate
SMILESCOC(=O)C1=C(N)OC(OC)=C(C#N)C1c1ccncc1
InChIInChI=1S/C14H13N3O4/c1-19-13(18)11-10(8-3-5-17-6-4-8)9(7-15)14(20-2)21-12(11)16/h3-6,10H,16H2,1-2H3
InChIKeyLZLBKTNSCIXRDP-UHFFFAOYSA-N
XLogP0.92
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-6-tert-butyl-5-cyano-4-pyridin-4-yl-4H-pyran-3-carboxylate
CID 110193135
methyl (4S)-2-amino-5-cyano-6-ethyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 7327444
methyl (4R)-2-amino-5-cyano-6-(methoxymethyl)-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 902354
methyl (4R)-6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 708912
benzyl (4S)-6-amino-5-cyano-2-methyl-4-pyridin-4-yl-4H-pyran-3-carboxylate
CID 690026
methyl (4S)-6-amino-5-cyano-2-ethyl-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
CID 51563827
5-cyano-6-ethoxy-2-methyl-4-pyridin-4-yl-4H-pyran-3-carboxamide
CID 610135
methyl 6-amino-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-4H-pyran-3-carboxylate
CID 3156236
methyl (4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2-ethyl-4H-pyran-3-carboxylate
CID 7310360
methyl 5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 4221165
methyl 6-amino-5-cyano-4-(4-methylphenyl)-2-propan-2-yl-4H-pyran-3-carboxylate
CID 155801830
methyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 2893094

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate?
The IUPAC name of methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate (CID 3944363) is methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate is COC(=O)C1=C(N)OC(OC)=C(C#N)C1c1ccncc1.
What is the InChIKey of methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate?
The InChIKey is LZLBKTNSCIXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-19-13(18)11-10(8-3-5-17-6-4-8)9(7-15)14(20-2)21-12(11)16/h3-6,10H,16H2,1-2H3.
What are the key properties of methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate?
methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-cyano-6-methoxy-4-pyridin-4-yl-4H-pyran-3-carboxylate is sourced from PubChem (CID 3944363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).