ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate

C17H18N2O3 — CID 68661920

IUPACethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OCC)c(C)c(C(C)=O)cn1-c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-4-22-17(21)15-11(2)14(12(3)20)10-19(16(15)18)13-8-6-5-7-9-13/h5-10,18H,4H2,1-3H3/b18-16+
InChIKeyADRACAHZLIJUNL-FBMGVBCBSA-N
MW298.34 g/mol
LogP2.64
Rot. Bonds4

About ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate

ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate (PubChem CID 68661920) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate
PubChem CID68661920
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate
SMILES[H]/N=c1\c(C(=O)OCC)c(C)c(C(C)=O)cn1-c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-4-22-17(21)15-11(2)14(12(3)20)10-19(16(15)18)13-8-6-5-7-9-13/h5-10,18H,4H2,1-3H3/b18-16+
InChIKeyADRACAHZLIJUNL-FBMGVBCBSA-N
XLogP2.64
TPSA72.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 3-hydroxy-1-phenylpyrrole-2,4-dicarboxylate
CID 71370863
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
triethyl 1-(2-methylphenyl)-4-oxopyridine-2,3,5-tricarboxylate
CID 162715184
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 4-acetyl-3-amino-1-benzylpyrrole-2-carboxylate
CID 71076417
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
ethyl 2-amino-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate
CID 15892491
5-[(2-amino-3-phenylpropanoyl)amino]-4-ethoxycarbonyl-1-phenylindole-3-carboxylic acid
CID 175012680
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 1-acetyl-4-methyl-5-phenylpyrrole-3-carboxylate
CID 4680387

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate (CID 68661920) is ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate is [H]/N=c1\c(C(=O)OCC)c(C)c(C(C)=O)cn1-c1ccccc1.
What is the InChIKey of ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate?
The InChIKey is ADRACAHZLIJUNL-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-22-17(21)15-11(2)14(12(3)20)10-19(16(15)18)13-8-6-5-7-9-13/h5-10,18H,4H2,1-3H3/b18-16+.
What are the key properties of ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate?
ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-imino-4-methyl-1-phenylpyridine-3-carboxylate is sourced from PubChem (CID 68661920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).