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

C21H25N3O2 — CID 109147891

IUPAC1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(23-14-16-5-2-1-3-6-16)18-8-10-19(11-9-18)21(26)24-15-17-7-4-12-22-13-17/h1-7,12-13,18-19H,8-11,14-15H2,(H,23,25)(H,24,26)
InChIKeyYSUWIRRAZABWPH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.82
Rot. Bonds6

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

1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147891) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147891
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(23-14-16-5-2-1-3-6-16)18-8-10-19(11-9-18)21(26)24-15-17-7-4-12-22-13-17/h1-7,12-13,18-19H,8-11,14-15H2,(H,23,25)(H,24,26)
InChIKeyYSUWIRRAZABWPH-UHFFFAOYSA-N
XLogP2.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.82
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
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148789
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109147891) is 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCc1ccccc1)C1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is YSUWIRRAZABWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(23-14-16-5-2-1-3-6-16)18-8-10-19(11-9-18)21(26)24-15-17-7-4-12-22-13-17/h1-7,12-13,18-19H,8-11,14-15H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).