2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide

C15H21ClN2O — CID 113379890

IUPAC2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC2(C)C)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O/c1-14(2,3)10-6-9(7-12(16)17-10)13(19)18-11-8-15(11,4)5/h6-7,11H,8H2,1-5H3,(H,18,19)
InChIKeyWDKDXTLOJFSLQX-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.56
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide

2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide (PubChem CID 113379890) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide
PubChem CID113379890
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC2(C)C)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O/c1-14(2,3)10-6-9(7-12(16)17-10)13(19)18-11-8-15(11,4)5/h6-7,11H,8H2,1-5H3,(H,18,19)
InChIKeyWDKDXTLOJFSLQX-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 113379994
(2S)-2-[(2-tert-butyl-6-chloropyridine-4-carbonyl)amino]propanoic acid
CID 114036543
2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841535
N-(2,2-dimethylcyclopropyl)-5-hydroxypyridine-3-carboxamide
CID 63860686
2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
CID 79872955
N-(2,2-dimethylcyclopropyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 113379043
2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
CID 116794886
2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 114387350
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355788
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
CID 114629350
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 106242999

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide (CID 113379890) is 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)NC2CC2(C)C)cc(Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is WDKDXTLOJFSLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-14(2,3)10-6-9(7-12(16)17-10)13(19)18-11-8-15(11,4)5/h6-7,11H,8H2,1-5H3,(H,18,19).
What are the key properties of 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide?
2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 113379890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).