dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate

C21H18N2O4 — CID 10713660

IUPACdimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc(Nc2ccccc2)c1C(=O)OC
InChIInChI=1S/C21H18N2O4/c1-26-20(24)16-13-17(14-9-5-3-6-10-14)23-19(18(16)21(25)27-2)22-15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23)
InChIKeyJCWYESONBKJOIA-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.07
Rot. Bonds5

About dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate

dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate (PubChem CID 10713660) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate
PubChem CID10713660
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Namedimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc(Nc2ccccc2)c1C(=O)OC
InChIInChI=1S/C21H18N2O4/c1-26-20(24)16-13-17(14-9-5-3-6-10-14)23-19(18(16)21(25)27-2)22-15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23)
InChIKeyJCWYESONBKJOIA-UHFFFAOYSA-N
XLogP4.07
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Stk008107
CID 694929
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
Ethyl 4-{[(4,6-dimethylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 970961
Ethyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 3342377
methyl 4-[[6-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-anilino]-3-fluoro-2-pyridyl]amino]benzoate
CID 127033947
3-[(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carbonyl)-amino]-benzoic acid methyl ester
CID 651144
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Diethyl 4,4'-[(6-methylpyrimidine-2,4-diyl)diimino]dibenzoate
CID 1858265
Ethyl 1-benzyl-7-(4-fluorophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2473907
Ethyl 2-{[(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-3-yl)carbonyl]amino}benzoate
CID 3244970
Ethyl 6-(butylamino)-5-cyano-2-phenylnicotinate
CID 3393240
Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate
CID 3644194

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate (CID 10713660) is dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate is COC(=O)c1cc(-c2ccccc2)nc(Nc2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate?
The InChIKey is JCWYESONBKJOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-20(24)16-13-17(14-9-5-3-6-10-14)23-19(18(16)21(25)27-2)22-15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23).
What are the key properties of dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate?
dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate has a molecular weight of 362.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate is sourced from PubChem (CID 10713660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).