ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate

C21H20N2O2 — CID 14003685

IUPACethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H20N2O2/c1-3-25-21(24)19-14-13-18(16-7-5-4-6-8-16)20(23-19)22-17-11-9-15(2)10-12-17/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyPBBPVTHYPVYFRH-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.98
Rot. Bonds5

About ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate

ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate (PubChem CID 14003685) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate
PubChem CID14003685
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Nameethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H20N2O2/c1-3-25-21(24)19-14-13-18(16-7-5-4-6-8-16)20(23-19)22-17-11-9-15(2)10-12-17/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyPBBPVTHYPVYFRH-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stk008107
CID 694929
1-(4-{[(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)amino]methyl}phenyl)ethan-1-one
CID 11712151
Benzoic acid 3-(2,6-diamino-5-phenyl-pyrimidin-4-yl)-propyl ester
CID 11152240
Ethyl 4-{[(4,6-dimethylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 970961
N-(6-methylpyridin-2-yl)-1-oxo-1H-isochromene-3-carboxamide
CID 3244159
Ethyl 4-{[(6-methylpyridin-2-yl)carbamothioyl]amino}benzoate
CID 3342377
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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate (CID 14003685) is ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate is CCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccc(C)cc2)n1.
What is the InChIKey of ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate?
The InChIKey is PBBPVTHYPVYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-25-21(24)19-14-13-18(16-7-5-4-6-8-16)20(23-19)22-17-11-9-15(2)10-12-17/h4-14H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate?
ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methylanilino)-5-phenylpyridine-2-carboxylate is sourced from PubChem (CID 14003685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).