N-butyl-N-methylpyridine-4-carboxamide;hydrochloride

C11H17ClN2O — CID 110756274

IUPACN-butyl-N-methylpyridine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccncc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-3-4-9-13(2)11(14)10-5-7-12-8-6-10;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyBSXCRUAAIFBVKG-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.38
Rot. Bonds4

About N-butyl-N-methylpyridine-4-carboxamide;hydrochloride

N-butyl-N-methylpyridine-4-carboxamide;hydrochloride (PubChem CID 110756274) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-butyl-N-methylpyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-methylpyridine-4-carboxamide;hydrochloride
PubChem CID110756274
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-butyl-N-methylpyridine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccncc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-3-4-9-13(2)11(14)10-5-7-12-8-6-10;/h5-8H,3-4,9H2,1-2H3;1H
InChIKeyBSXCRUAAIFBVKG-UHFFFAOYSA-N
XLogP2.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
N-butyl-N,3-dimethylpyridine-4-carboxamide
CID 110855737
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
CID 84515347
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylpyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N-methylpyridine-4-carboxamide;hydrochloride (CID 110756274) is N-butyl-N-methylpyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N-methylpyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N-methylpyridine-4-carboxamide;hydrochloride is CCCCN(C)C(=O)c1ccncc1.Cl.
What is the InChIKey of N-butyl-N-methylpyridine-4-carboxamide;hydrochloride?
The InChIKey is BSXCRUAAIFBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-3-4-9-13(2)11(14)10-5-7-12-8-6-10;/h5-8H,3-4,9H2,1-2H3;1H.
What are the key properties of N-butyl-N-methylpyridine-4-carboxamide;hydrochloride?
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylpyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110756274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).