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

C20H23N3O2 — CID 109148792

IUPAC4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1cccnc1)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(22-14-15-5-4-12-21-13-15)16-8-10-17(11-9-16)20(25)23-18-6-2-1-3-7-18/h1-7,12-13,16-17H,8-11,14H2,(H,22,24)(H,23,25)
InChIKeyJZWCVGLCFLBTLJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.14
Rot. Bonds5

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

4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148792) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148792
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1cccnc1)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(22-14-15-5-4-12-21-13-15)16-8-10-17(11-9-16)20(25)23-18-6-2-1-3-7-18/h1-7,12-13,16-17H,8-11,14H2,(H,22,24)(H,23,25)
InChIKeyJZWCVGLCFLBTLJ-UHFFFAOYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148824
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 95347813
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109148792) is 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCc1cccnc1)C1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is JZWCVGLCFLBTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(22-14-15-5-4-12-21-13-15)16-8-10-17(11-9-16)20(25)23-18-6-2-1-3-7-18/h1-7,12-13,16-17H,8-11,14H2,(H,22,24)(H,23,25).
What are the key properties of 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).