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

C21H24FN3O2 — CID 109148415

IUPAC1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O2/c22-19-7-1-15(2-8-19)13-24-20(26)17-3-5-18(6-4-17)21(27)25-14-16-9-11-23-12-10-16/h1-2,7-12,17-18H,3-6,13-14H2,(H,24,26)(H,25,27)
InChIKeyICWCGTCYGTULBT-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.96
Rot. Bonds6

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

1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148415) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148415
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCc1ccncc1)C1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O2/c22-19-7-1-15(2-8-19)13-24-20(26)17-3-5-18(6-4-17)21(27)25-14-16-9-11-23-12-10-16/h1-2,7-12,17-18H,3-6,13-14H2,(H,24,26)(H,25,27)
InChIKeyICWCGTCYGTULBT-UHFFFAOYSA-N
XLogP2.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364948
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109148415) is 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is O=C(NCc1ccncc1)C1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is ICWCGTCYGTULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-19-7-1-15(2-8-19)13-24-20(26)17-3-5-18(6-4-17)21(27)25-14-16-9-11-23-12-10-16/h1-2,7-12,17-18H,3-6,13-14H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).