4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide

C21H24ClN3O2 — CID 109081545

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H24ClN3O2/c22-17-8-6-15(7-9-17)10-12-24-20(26)16-11-13-23-19(14-16)21(27)25-18-4-2-1-3-5-18/h6-9,11,13-14,18H,1-5,10,12H2,(H,24,26)(H,25,27)
InChIKeyZDIAVYDBLWIENV-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.77
Rot. Bonds6

About 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide

4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide (PubChem CID 109081545) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
PubChem CID109081545
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H24ClN3O2/c22-17-8-6-15(7-9-17)10-12-24-20(26)16-11-13-23-19(14-16)21(27)25-18-4-2-1-3-5-18/h6-9,11,13-14,18H,1-5,10,12H2,(H,24,26)(H,25,27)
InChIKeyZDIAVYDBLWIENV-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109204781
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
2-N-cyclohexyl-4-N-(2,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081635
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide (CID 109081545) is 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccnc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide?
The InChIKey is ZDIAVYDBLWIENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-8-6-15(7-9-17)10-12-24-20(26)16-11-13-23-19(14-16)21(27)25-18-4-2-1-3-5-18/h6-9,11,13-14,18H,1-5,10,12H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide?
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).