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

C13H24N2O — CID 115774734

IUPAC4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)NC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-10(2)14-12(16)15-8-6-11(7-9-15)13(3,4)5/h6,10H,7-9H2,1-5H3,(H,14,16)
InChIKeyGEYLRBSVDRKOHJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.78
Rot. Bonds1

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

4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115774734) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115774734
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)NC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-10(2)14-12(16)15-8-6-11(7-9-15)13(3,4)5/h6,10H,7-9H2,1-5H3,(H,14,16)
InChIKeyGEYLRBSVDRKOHJ-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 104929060
(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 104929075
5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
CID 114460562
4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774573
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53015775
4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774578
2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114460587
(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
3-hydroxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]butanoic acid
CID 114490462
(2R)-4-methyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]pentanoic acid
CID 104930405
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-one
CID 121450240

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115774734) is 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)NC(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is GEYLRBSVDRKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)14-12(16)15-8-6-11(7-9-15)13(3,4)5/h6,10H,7-9H2,1-5H3,(H,14,16).
What are the key properties of 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115774734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).