4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide

C20H29N3O2 — CID 109146108

IUPAC4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(22-14-15-10-12-21-13-11-15)16-6-8-17(9-7-16)20(25)23-18-4-2-1-3-5-18/h10-13,16-18H,1-9,14H2,(H,22,24)(H,23,25)
InChIKeyJEBBHHCDODNYJL-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.95
Rot. Bonds5

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

4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146108) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146108
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(22-14-15-10-12-21-13-11-15)16-6-8-17(9-7-16)20(25)23-18-4-2-1-3-5-18/h10-13,16-18H,1-9,14H2,(H,22,24)(H,23,25)
InChIKeyJEBBHHCDODNYJL-UHFFFAOYSA-N
XLogP2.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
(1R,2S,3R)-3-(2-aminobenzoyl)-2-N-cyclohexyl-3-methyl-1-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 92604155
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
CID 47634027
N-benzylcyclopentanecarboxamide
CID 835634
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109146108) is 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCc1ccncc1)C1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is JEBBHHCDODNYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(22-14-15-10-12-21-13-11-15)16-6-8-17(9-7-16)20(25)23-18-4-2-1-3-5-18/h10-13,16-18H,1-9,14H2,(H,22,24)(H,23,25).
What are the key properties of 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).