N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride

C13H19ClN2O — CID 20787052

IUPACN-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
SMILESO=C(NCc1ccc[nH+]c1)C1CCCCC1.[Cl-]
InChIInChI=1S/C13H18N2O.ClH/c16-13(12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11;/h4-5,8-9,12H,1-3,6-7,10H2,(H,15,16);1H
InChIKeyWKSPZYSGEBWCDY-UHFFFAOYSA-N
MW254.76 g/mol
LogP-1.30
Rot. Bonds3

About N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride

N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride (PubChem CID 20787052) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride.

Molecular Properties

Compound NameN-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
PubChem CID20787052
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
SMILESO=C(NCc1ccc[nH+]c1)C1CCCCC1.[Cl-]
InChIInChI=1S/C13H18N2O.ClH/c16-13(12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11;/h4-5,8-9,12H,1-3,6-7,10H2,(H,15,16);1H
InChIKeyWKSPZYSGEBWCDY-UHFFFAOYSA-N
XLogP-1.30
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzylcyclopentanecarboxamide
CID 835634
N-benzylcyclobutanecarboxamide
CID 730128
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride?
The IUPAC name of N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride (CID 20787052) is N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride.
What is the SMILES notation for N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride?
The canonical SMILES for N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride is O=C(NCc1ccc[nH+]c1)C1CCCCC1.[Cl-].
What is the InChIKey of N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride?
The InChIKey is WKSPZYSGEBWCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c16-13(12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11;/h4-5,8-9,12H,1-3,6-7,10H2,(H,15,16);1H.
What are the key properties of N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride?
N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride has a molecular weight of 254.76 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride is sourced from PubChem (CID 20787052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).