ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate

C20H27N3O4 — CID 142173483

IUPACethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2cc(OC)ccc2OC)/C(=C/N)C(N)=N1
InChIInChI=1S/C20H27N3O4/c1-5-7-15-18(20(24)27-6-2)17(14(11-21)19(22)23-15)13-10-12(25-3)8-9-16(13)26-4/h8-11,17H,5-7,21H2,1-4H3,(H2,22,23)/b14-11-
InChIKeyONSLVHDISQYSDY-KAMYIIQDSA-N
MW373.45 g/mol
LogP2.62
Rot. Bonds7

About ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate

ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate (PubChem CID 142173483) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate
PubChem CID142173483
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2cc(OC)ccc2OC)/C(=C/N)C(N)=N1
InChIInChI=1S/C20H27N3O4/c1-5-7-15-18(20(24)27-6-2)17(14(11-21)19(22)23-15)13-10-12(25-3)8-9-16(13)26-4/h8-11,17H,5-7,21H2,1-4H3,(H2,22,23)/b14-11-
InChIKeyONSLVHDISQYSDY-KAMYIIQDSA-N
XLogP2.62
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2-chloro-4-fluorophenyl)-2-propyl-4H-pyridine-3-carboxylate
CID 142173588
ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2-methylsulfanylphenyl)-2-propyl-4H-pyridine-3-carboxylate
CID 142159656
[[(Z)-[2-amino-4-(2,3-dimethoxyphenyl)-5-ethoxycarbonyl-6-propyl-4H-pyridin-3-ylidene]methyl]amino]methyl (5Z)-6-amino-5-(aminomethylidene)-4-[2-chloro-3-(trifluoromethyl)phenyl]-2-propyl-4H-pyridine-3-carboxylate
CID 142159702
ethyl (2Z,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531521
ethyl (2Z)-2-[(2-acetyloxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6111677
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 35214949
ethyl (2Z,5R)-2-[(4-tert-butylphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531482
ethyl (2Z,5R)-2-[(4-acetyloxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531544
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-[(3-hydroxyphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 27255028
ethyl (7S)-7-(2,5-dimethoxyphenyl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 136690520
ethyl (2Z,5S)-5-(2,5-dimethoxyphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531457
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124600802

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate (CID 142173483) is ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate is CCCC1=C(C(=O)OCC)C(c2cc(OC)ccc2OC)/C(=C/N)C(N)=N1.
What is the InChIKey of ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate?
The InChIKey is ONSLVHDISQYSDY-KAMYIIQDSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-5-7-15-18(20(24)27-6-2)17(14(11-21)19(22)23-15)13-10-12(25-3)8-9-16(13)26-4/h8-11,17H,5-7,21H2,1-4H3,(H2,22,23)/b14-11-.
What are the key properties of ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate?
ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z)-6-amino-5-(aminomethylidene)-4-(2,5-dimethoxyphenyl)-2-propyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 142173483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).