N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide

C12H18N2O — CID 84515347

IUPACN-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-14(4)11(15)10-5-7-13-8-6-10/h5-8H,9H2,1-4H3
InChIKeyCGKYNHBRXTUKAB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.20
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide

N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide (PubChem CID 84515347) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
PubChem CID84515347
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-14(4)11(15)10-5-7-13-8-6-10/h5-8H,9H2,1-4H3
InChIKeyCGKYNHBRXTUKAB-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-(2,2-dimethylpropyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62177743
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
3-[2,2-dimethylpropyl(methyl)carbamoyl]-5-propanoylbenzoic acid
CID 163763733
2-[2,2-dimethylpropyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429016
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide (CID 84515347) is N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide is CN(CC(C)(C)C)C(=O)c1ccncc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide?
The InChIKey is CGKYNHBRXTUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-14(4)11(15)10-5-7-13-8-6-10/h5-8H,9H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide?
N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 84515347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).