N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C15H18F4N2O2 — CID 118772090

IUPACN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1cccc(C(NC(=O)COCC(F)(F)C(F)F)C2CC2)n1
InChIInChI=1S/C15H18F4N2O2/c1-9-3-2-4-11(20-9)13(10-5-6-10)21-12(22)7-23-8-15(18,19)14(16)17/h2-4,10,13-14H,5-8H2,1H3,(H,21,22)
InChIKeyXFUFKEYBJLSGCM-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.87
Rot. Bonds8

About N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 118772090) has the molecular formula C15H18F4N2O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID118772090
Molecular FormulaC15H18F4N2O2
Molecular Weight334.31 g/mol
Exact Mass334.13
IUPAC NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1cccc(C(NC(=O)COCC(F)(F)C(F)F)C2CC2)n1
InChIInChI=1S/C15H18F4N2O2/c1-9-3-2-4-11(20-9)13(10-5-6-10)21-12(22)7-23-8-15(18,19)14(16)17/h2-4,10,13-14H,5-8H2,1H3,(H,21,22)
InChIKeyXFUFKEYBJLSGCM-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide
CID 91833208
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 125159205
3-(2-chlorophenyl)-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]propanamide
CID 118787329
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990447
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
CID 126423675
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
CID 97454673
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 97127947
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587
N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 125164990

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 118772090) is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Cc1cccc(C(NC(=O)COCC(F)(F)C(F)F)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is XFUFKEYBJLSGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O2/c1-9-3-2-4-11(20-9)13(10-5-6-10)21-12(22)7-23-8-15(18,19)14(16)17/h2-4,10,13-14H,5-8H2,1H3,(H,21,22).
What are the key properties of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 334.31 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 118772090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).