methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate

C26H28N4O5 — CID 53382835

IUPACmethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)C1c1cccc(OC)c1OC
InChIInChI=1S/C26H28N4O5/c1-32-22-6-4-5-19(24(22)33-2)23-20(15-27)25(28)30(16-21(23)26(31)34-3)18-9-7-17(8-10-18)29-11-13-35-14-12-29/h4-10,16,23H,11-14,28H2,1-3H3
InChIKeyDFBXRANNWRIBIF-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.89
Rot. Bonds6

About methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate

methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate (PubChem CID 53382835) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate
PubChem CID53382835
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Namemethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)C1c1cccc(OC)c1OC
InChIInChI=1S/C26H28N4O5/c1-32-22-6-4-5-19(24(22)33-2)23-20(15-27)25(28)30(16-21(23)26(31)34-3)18-9-7-17(8-10-18)29-11-13-35-14-12-29/h4-10,16,23H,11-14,28H2,1-3H3
InChIKeyDFBXRANNWRIBIF-UHFFFAOYSA-N
XLogP2.89
TPSA110.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(3-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate
CID 53382834
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
2-amino-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-morpholin-4-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5054807
ethyl 6-amino-5-cyano-4-(2-methoxy-4-morpholin-4-ylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 4238786
3-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]-2-morpholin-4-ylbenzoic acid
CID 168645872
dimethyl 4-(2,3-dimethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
CID 2897941
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
3,9-diamino-1,7-bis(2,3-dimethoxyphenyl)-1,7-dihydrochromeno[8,7-h]chromene-2,8-dicarbonitrile
CID 162788079
(2S,3R)-2-(2,3-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034788
ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate
CID 4738230
dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2,3-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 5191705
dimethyl 6-amino-5-cyano-1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644136

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate (CID 53382835) is methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)C1c1cccc(OC)c1OC.
What is the InChIKey of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate?
The InChIKey is DFBXRANNWRIBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-32-22-6-4-5-19(24(22)33-2)23-20(15-27)25(28)30(16-21(23)26(31)34-3)18-9-7-17(8-10-18)29-11-13-35-14-12-29/h4-10,16,23H,11-14,28H2,1-3H3.
What are the key properties of methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate?
methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-1-(4-morpholin-4-ylphenyl)-4H-pyridine-3-carboxylate is sourced from PubChem (CID 53382835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).