N-(3,3-dimethylbutyl)pyridine-4-carboxamide

C12H18N2O — CID 68891384

IUPACN-(3,3-dimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)(C)CCNC(=O)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)6-9-14-11(15)10-4-7-13-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)
InChIKeyNTYWGRYODSPVKF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.25
Rot. Bonds3

About N-(3,3-dimethylbutyl)pyridine-4-carboxamide

N-(3,3-dimethylbutyl)pyridine-4-carboxamide (PubChem CID 68891384) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)pyridine-4-carboxamide
PubChem CID68891384
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3,3-dimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)(C)CCNC(=O)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)6-9-14-11(15)10-4-7-13-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)
InChIKeyNTYWGRYODSPVKF-UHFFFAOYSA-N
XLogP2.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-butylpyridine-4-carboxamide
CID 5030535
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
N-pentylpyridine-4-carboxamide
CID 2307296
N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
CID 856904
N-hexylpyridine-4-carboxamide
CID 3423732
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607
N-(2-trimethylsilyloxyethyl)pyridine-4-carboxamide
CID 11064466
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)pyridine-4-carboxamide (CID 68891384) is N-(3,3-dimethylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)pyridine-4-carboxamide is CC(C)(C)CCNC(=O)c1ccncc1.
What is the InChIKey of N-(3,3-dimethylbutyl)pyridine-4-carboxamide?
The InChIKey is NTYWGRYODSPVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)6-9-14-11(15)10-4-7-13-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbutyl)pyridine-4-carboxamide?
N-(3,3-dimethylbutyl)pyridine-4-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 68891384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).