ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate

C18H18N4O4 — CID 174550540

IUPACethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(NC(=O)c2ccc(OC)cc2)c(C#N)c1N
InChIInChI=1S/C18H18N4O4/c1-4-26-18(24)14-10(2)21-16(13(9-19)15(14)20)22-17(23)11-5-7-12(25-3)8-6-11/h5-8H,4H2,1-3H3,(H3,20,21,22,23)
InChIKeyBVYBIGCFUMEANG-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate

ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate (PubChem CID 174550540) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate
PubChem CID174550540
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Nameethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(NC(=O)c2ccc(OC)cc2)c(C#N)c1N
InChIInChI=1S/C18H18N4O4/c1-4-26-18(24)14-10(2)21-16(13(9-19)15(14)20)22-17(23)11-5-7-12(25-3)8-6-11/h5-8H,4H2,1-3H3,(H3,20,21,22,23)
InChIKeyBVYBIGCFUMEANG-UHFFFAOYSA-N
XLogP2.28
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide
CID 134114036
methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 45104903
ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate
CID 141267410
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)pyridine-3-carboxylate
CID 45104906
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
diethyl 5-[(4-methoxyphenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 10090791

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate (CID 174550540) is ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate is CCOC(=O)c1c(C)nc(NC(=O)c2ccc(OC)cc2)c(C#N)c1N.
What is the InChIKey of ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate?
The InChIKey is BVYBIGCFUMEANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-4-26-18(24)14-10(2)21-16(13(9-19)15(14)20)22-17(23)11-5-7-12(25-3)8-6-11/h5-8H,4H2,1-3H3,(H3,20,21,22,23).
What are the key properties of ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate?
ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 174550540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).