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

C19H29N3O2 — CID 109148692

IUPAC4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-4-13-22(2)19(24)16-10-8-15(9-11-16)18(23)21-14-17-7-5-6-12-20-17/h5-7,12,15-16H,3-4,8-11,13-14H2,1-2H3,(H,21,23)
InChIKeyBMDSSXXOSCQABY-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.76
Rot. Bonds7

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

4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148692) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148692
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-4-13-22(2)19(24)16-10-8-15(9-11-16)18(23)21-14-17-7-5-6-12-20-17/h5-7,12,15-16H,3-4,8-11,13-14H2,1-2H3,(H,21,23)
InChIKeyBMDSSXXOSCQABY-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109148692) is 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide is CCCCN(C)C(=O)C1CCC(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BMDSSXXOSCQABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-4-13-22(2)19(24)16-10-8-15(9-11-16)18(23)21-14-17-7-5-6-12-20-17/h5-7,12,15-16H,3-4,8-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).