ethyl 6-anilino-5-phenylpyridine-2-carboxylate

C20H18N2O2 — CID 14003684

IUPACethyl 6-anilino-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C20H18N2O2/c1-2-24-20(23)18-14-13-17(15-9-5-3-6-10-15)19(22-18)21-16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,21,22)
InChIKeyZKFVAVAVTONHMN-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.67
Rot. Bonds5

About ethyl 6-anilino-5-phenylpyridine-2-carboxylate

ethyl 6-anilino-5-phenylpyridine-2-carboxylate (PubChem CID 14003684) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethyl 6-anilino-5-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-anilino-5-phenylpyridine-2-carboxylate
PubChem CID14003684
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Nameethyl 6-anilino-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C20H18N2O2/c1-2-24-20(23)18-14-13-17(15-9-5-3-6-10-15)19(22-18)21-16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,21,22)
InChIKeyZKFVAVAVTONHMN-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stk008107
CID 694929
Benzoic acid 3-(2,6-diamino-5-phenyl-pyrimidin-4-yl)-propyl ester
CID 11152240
N-(6-methylpyridin-2-yl)-1-oxo-1H-isochromene-3-carboxamide
CID 3244159
Ethyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 3342377
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}quinazoline-2-carboxylate
CID 1192534
4-(4-Ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester
CID 1192535
Ethyl 4-{[4-(methoxycarbonyl)phenyl]amino}quinazoline-2-carboxylate
CID 1192536
Diethyl 4,4'-[(6-methylpyrimidine-2,4-diyl)diimino]dibenzoate
CID 1858265
Ethyl 4-[(6-methylpyridin-2-yl)carbamoylamino]benzoate
CID 6469443
Ethyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate
CID 16014858
6-(2-Phenylmethoxyanilino)pyridine-2-carboxylic acid
CID 25008273

Frequently Asked Questions

What is the IUPAC name of ethyl 6-anilino-5-phenylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-anilino-5-phenylpyridine-2-carboxylate (CID 14003684) is ethyl 6-anilino-5-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-anilino-5-phenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-anilino-5-phenylpyridine-2-carboxylate is CCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccccc2)n1.
What is the InChIKey of ethyl 6-anilino-5-phenylpyridine-2-carboxylate?
The InChIKey is ZKFVAVAVTONHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-2-24-20(23)18-14-13-17(15-9-5-3-6-10-15)19(22-18)21-16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 6-anilino-5-phenylpyridine-2-carboxylate?
ethyl 6-anilino-5-phenylpyridine-2-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-anilino-5-phenylpyridine-2-carboxylate is sourced from PubChem (CID 14003684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).