6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide

C20H15F4N3O — CID 71105686

IUPAC6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C(F)(F)F)c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H15F4N3O/c21-14-9-7-13(8-10-14)12-15-4-3-6-17(26-15)19(28)27-18(20(22,23)24)16-5-1-2-11-25-16/h1-11,18H,12H2,(H,27,28)/t18-/m1/s1
InChIKeyWNVQEJBTNFMTNC-GOSISDBHSA-N
MW389.35 g/mol
LogP4.24
Rot. Bonds5

About 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide

6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide (PubChem CID 71105686) has the molecular formula C20H15F4N3O and a molecular weight of 389.35 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide
PubChem CID71105686
Molecular FormulaC20H15F4N3O
Molecular Weight389.35 g/mol
Exact Mass389.12
IUPAC Name6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C(F)(F)F)c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H15F4N3O/c21-14-9-7-13(8-10-14)12-15-4-3-6-17(26-15)19(28)27-18(20(22,23)24)16-5-1-2-11-25-16/h1-11,18H,12H2,(H,27,28)/t18-/m1/s1
InChIKeyWNVQEJBTNFMTNC-GOSISDBHSA-N
XLogP4.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide (CID 71105686) is 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide is O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cccc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
The InChIKey is WNVQEJBTNFMTNC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H15F4N3O/c21-14-9-7-13(8-10-14)12-15-4-3-6-17(26-15)19(28)27-18(20(22,23)24)16-5-1-2-11-25-16/h1-11,18H,12H2,(H,27,28)/t18-/m1/s1.
What are the key properties of 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide?
6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide has a molecular weight of 389.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).