4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide

C22H27N3O2 — CID 109147996

IUPAC4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C22H27N3O2/c1-16-4-2-3-5-20(16)15-25-22(27)19-8-6-18(7-9-19)21(26)24-14-17-10-12-23-13-11-17/h2-5,10-13,18-19H,6-9,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyLRGZKESYBVHEND-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.13
Rot. Bonds6

About 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147996) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147996
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C22H27N3O2/c1-16-4-2-3-5-20(16)15-25-22(27)19-8-6-18(7-9-19)21(26)24-14-17-10-12-23-13-11-17/h2-5,10-13,18-19H,6-9,14-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyLRGZKESYBVHEND-UHFFFAOYSA-N
XLogP3.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884
N-[(2-methylphenyl)methyl]-9-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688045
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148008
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148018
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148921
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
N-[(2-methylphenyl)methyl]thiolane-3-carboxamide
CID 110850669
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109147996) is 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is Cc1ccccc1CNC(=O)C1CCC(C(=O)NCc2ccncc2)CC1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is LRGZKESYBVHEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-4-2-3-5-20(16)15-25-22(27)19-8-6-18(7-9-19)21(26)24-14-17-10-12-23-13-11-17/h2-5,10-13,18-19H,6-9,14-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).