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

C22H27N3O2 — CID 109148278

IUPAC4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-25(16-17-7-3-2-4-8-17)22(27)19-12-10-18(11-13-19)21(26)24-15-20-9-5-6-14-23-20/h2-9,14,18-19H,10-13,15-16H2,1H3,(H,24,26)
InChIKeyPGBJWEYTLQMQOM-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.16
Rot. Bonds6

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

4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148278) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148278
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-25(16-17-7-3-2-4-8-17)22(27)19-12-10-18(11-13-19)21(26)24-15-20-9-5-6-14-23-20/h2-9,14,18-19H,10-13,15-16H2,1H3,(H,24,26)
InChIKeyPGBJWEYTLQMQOM-UHFFFAOYSA-N
XLogP3.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148692
4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148273
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 47173784
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
N-benzyl-N-methyl-3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 110969789

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109148278) is 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is PGBJWEYTLQMQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(16-17-7-3-2-4-8-17)22(27)19-12-10-18(11-13-19)21(26)24-15-20-9-5-6-14-23-20/h2-9,14,18-19H,10-13,15-16H2,1H3,(H,24,26).
What are the key properties of 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).