2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide

C17H26N2O — CID 11173396

IUPAC2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCCCc2ccccn2)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)15(20)19-12-8-6-10-13-9-5-7-11-18-13/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,19,20)
InChIKeyWMUDHYRPYRQRMZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds6

About 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide (PubChem CID 11173396) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
PubChem CID11173396
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCCCc2ccccn2)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)15(20)19-12-8-6-10-13-9-5-7-11-18-13/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,19,20)
InChIKeyWMUDHYRPYRQRMZ-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 11161308
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
2-amino-2-(3,5-dimethylpyrazolidin-4-yl)-N-(4-pyridin-2-ylbutyl)acetamide
CID 134079918
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide (CID 11173396) is 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide is CC1(C)C(C(=O)NCCCCc2ccccn2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide?
The InChIKey is WMUDHYRPYRQRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)15(20)19-12-8-6-10-13-9-5-7-11-18-13/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,19,20).
What are the key properties of 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 11173396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).