4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide

C21H25N3O3 — CID 109148921

IUPAC4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C21H25N3O3/c1-27-19-5-3-2-4-18(19)24-21(26)17-8-6-16(7-9-17)20(25)23-14-15-10-12-22-13-11-15/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyFORUJQXWKAIZKE-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.15
Rot. Bonds6

About 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148921) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148921
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C21H25N3O3/c1-27-19-5-3-2-4-18(19)24-21(26)17-8-6-16(7-9-17)20(25)23-14-15-10-12-22-13-11-15/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyFORUJQXWKAIZKE-UHFFFAOYSA-N
XLogP3.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
4-N-(2-methoxy-5-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148181
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109148921) is 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is COc1ccccc1NC(=O)C1CCC(C(=O)NCc2ccncc2)CC1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is FORUJQXWKAIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-5-3-2-4-18(19)24-21(26)17-8-6-16(7-9-17)20(25)23-14-15-10-12-22-13-11-15/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).