4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide

C12H15N3O — CID 115116842

IUPAC4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cc(C#N)ccn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)8-15-11(16)10-6-9(7-13)4-5-14-10/h4-6H,8H2,1-3H3,(H,15,16)
InChIKeyITUPFTQFDMNTNM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.73
Rot. Bonds2

About 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide

4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide (PubChem CID 115116842) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
PubChem CID115116842
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1cc(C#N)ccn1
InChIInChI=1S/C12H15N3O/c1-12(2,3)8-15-11(16)10-6-9(7-13)4-5-14-10/h4-6H,8H2,1-3H3,(H,15,16)
InChIKeyITUPFTQFDMNTNM-UHFFFAOYSA-N
XLogP1.73
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(4-methylpentyl)pyridine-2-carboxamide
CID 115116900
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
N-[(5-bromo-2-methylphenyl)methyl]-4-cyanopyridine-2-carboxamide
CID 115116857
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
CID 11031719
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
2-[(4-ethynylpyridine-2-carbonyl)amino]acetic acid
CID 146155968
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 115116879

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide (CID 115116842) is 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide is CC(C)(C)CNC(=O)c1cc(C#N)ccn1.
What is the InChIKey of 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The InChIKey is ITUPFTQFDMNTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)8-15-11(16)10-6-9(7-13)4-5-14-10/h4-6H,8H2,1-3H3,(H,15,16).
What are the key properties of 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115116842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).