N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H16F2N2O — CID 103097715

IUPACN-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(F)nc2F)C1(C)C
InChIInChI=1S/C13H16F2N2O/c1-12(2)9(13(12,3)4)11(18)16-7-5-6-8(14)17-10(7)15/h5-6,9H,1-4H3,(H,16,18)
InChIKeyRFQUZQJYQPYRSO-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.98
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 103097715) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID103097715
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(F)nc2F)C1(C)C
InChIInChI=1S/C13H16F2N2O/c1-12(2)9(13(12,3)4)11(18)16-7-5-6-8(14)17-10(7)15/h5-6,9H,1-4H3,(H,16,18)
InChIKeyRFQUZQJYQPYRSO-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 103098002
N-(2,6-difluoro-3-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 106829495
N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
CID 103097804
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944
N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
CID 103097809
N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097942
1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea
CID 146129337
N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 99792370
2,4-dichloro-N-(2,6-difluoro-3-pyridinyl)benzamide
CID 103097683
N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512452
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 103097715) is N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2ccc(F)nc2F)C1(C)C.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is RFQUZQJYQPYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-12(2)9(13(12,3)4)11(18)16-7-5-6-8(14)17-10(7)15/h5-6,9H,1-4H3,(H,16,18).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 103097715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).