4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

C12H22N2O — CID 115774578

IUPAC4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5/h6H,7-9H2,1-5H3
InChIKeyWYZFZZDWKGSKBT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.35
Rot. Bonds

About 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115774578) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115774578
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5/h6H,7-9H2,1-5H3
InChIKeyWYZFZZDWKGSKBT-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91240753
4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774734
(2R)-2-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104928967
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
CID 130310982
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-one
CID 121450240
(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 104929060
N-ethyl-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114489749
4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774573
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114461648
6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114459953
6-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 114459822
2-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylbutanenitrile
CID 114460062

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115774578) is 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is CN(C)C(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is WYZFZZDWKGSKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5/h6H,7-9H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115774578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).