ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate

C26H27ClN2O2 — CID 53359332

IUPACethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1NC1CCCCC1
InChIInChI=1S/C26H27ClN2O2/c1-2-31-26(30)24-22(18-13-15-20(27)16-14-18)17-23(19-9-5-3-6-10-19)29-25(24)28-21-11-7-4-8-12-21/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12H2,1H3,(H,28,29)
InChIKeyLEQLLRONCYEJPE-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.99
Rot. Bonds6

About ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate

ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate (PubChem CID 53359332) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate
PubChem CID53359332
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Nameethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1NC1CCCCC1
InChIInChI=1S/C26H27ClN2O2/c1-2-31-26(30)24-22(18-13-15-20(27)16-14-18)17-23(19-9-5-3-6-10-19)29-25(24)28-21-11-7-4-8-12-21/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12H2,1H3,(H,28,29)
InChIKeyLEQLLRONCYEJPE-UHFFFAOYSA-N
XLogP6.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethylpyrimidine-5-carboxylate
CID 70260274
ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
CID 141107459
3-(4-chlorophenyl)-N-cyclohexylisoquinolin-1-amine
CID 53475014
4-[2-(cyclohexylamino)-6-ethoxycarbonyl-3-(C-propan-2-yloxycarbonimidoyl)-4-pyridinyl]benzoic acid
CID 145290047
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
2-(cyclohexylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 3439401
ethyl 2-chloro-4-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10519135
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate (CID 53359332) is ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1NC1CCCCC1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate?
The InChIKey is LEQLLRONCYEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-2-31-26(30)24-22(18-13-15-20(27)16-14-18)17-23(19-9-5-3-6-10-19)29-25(24)28-21-11-7-4-8-12-21/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12H2,1H3,(H,28,29).
What are the key properties of ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate?
ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate has a molecular weight of 434.97 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 53359332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).