4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide

C21H24ClN3O2 — CID 109148824

IUPAC4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCc3cccnc3)CC2)cc1Cl
InChIInChI=1S/C21H24ClN3O2/c1-14-4-9-18(11-19(14)22)25-21(27)17-7-5-16(6-8-17)20(26)24-13-15-3-2-10-23-12-15/h2-4,9-12,16-17H,5-8,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyBONNLDRNFRQMJF-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.10
Rot. Bonds5

About 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148824) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148824
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCc3cccnc3)CC2)cc1Cl
InChIInChI=1S/C21H24ClN3O2/c1-14-4-9-18(11-19(14)22)25-21(27)17-7-5-16(6-8-17)20(26)24-13-15-3-2-10-23-12-15/h2-4,9-12,16-17H,5-8,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyBONNLDRNFRQMJF-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
3-(3-chloro-4-methylphenyl)-6,7-dihydroxy-N-(pyridin-3-ylmethyl)-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-4-carboxamide
CID 74736886
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109148824) is 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)NCc3cccnc3)CC2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BONNLDRNFRQMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14-4-9-18(11-19(14)22)25-21(27)17-7-5-16(6-8-17)20(26)24-13-15-3-2-10-23-12-15/h2-4,9-12,16-17H,5-8,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).