2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide

C17H16F4N2O2 — CID 160840469

IUPAC2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(OC(F)(F)C(F)F)c2)ccn1
InChIInChI=1S/C17H16F4N2O2/c1-10-8-13(6-7-22-10)15(24)23-11(2)12-4-3-5-14(9-12)25-17(20,21)16(18)19/h3-9,11,16H,1-2H3,(H,23,24)
InChIKeyBYNPNHWSTKPVFX-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.12
Rot. Bonds6

About 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide

2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide (PubChem CID 160840469) has the molecular formula C17H16F4N2O2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
PubChem CID160840469
Molecular FormulaC17H16F4N2O2
Molecular Weight356.32 g/mol
Exact Mass356.11
IUPAC Name2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(OC(F)(F)C(F)F)c2)ccn1
InChIInChI=1S/C17H16F4N2O2/c1-10-8-13(6-7-22-10)15(24)23-11(2)12-4-3-5-14(9-12)25-17(20,21)16(18)19/h3-9,11,16H,1-2H3,(H,23,24)
InChIKeyBYNPNHWSTKPVFX-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.12
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-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566129
butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 171931063
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
4-N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-N-ethyl-6-methylpyridine-2,4-dicarboxamide
CID 162566171
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpyridine-4-carboxamide
CID 174687500
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
2-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 157284679
N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51966121
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide (CID 160840469) is 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(OC(F)(F)C(F)F)c2)ccn1.
What is the InChIKey of 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is BYNPNHWSTKPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O2/c1-10-8-13(6-7-22-10)15(24)23-11(2)12-4-3-5-14(9-12)25-17(20,21)16(18)19/h3-9,11,16H,1-2H3,(H,23,24).
What are the key properties of 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide?
2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 356.32 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 160840469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).