5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide

C21H18F5N5O2 — CID 71059686

IUPAC5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide
SMILESCC(=O)NCc1cnc(C(F)F)c(C(=O)Nc2nc(-c3ccc(C(F)(F)F)cc3)c(C)[nH]2)c1
InChIInChI=1S/C21H18F5N5O2/c1-10-16(13-3-5-14(6-4-13)21(24,25)26)30-20(29-10)31-19(33)15-7-12(8-27-11(2)32)9-28-17(15)18(22)23/h3-7,9,18H,8H2,1-2H3,(H,27,32)(H2,29,30,31,33)
InChIKeyCGMKDDSJYWMDOQ-UHFFFAOYSA-N
MW467.40 g/mol
LogP4.62
Rot. Bonds6

About 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide

5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide (PubChem CID 71059686) has the molecular formula C21H18F5N5O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide
PubChem CID71059686
Molecular FormulaC21H18F5N5O2
Molecular Weight467.40 g/mol
Exact Mass467.14
IUPAC Name5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide
SMILESCC(=O)NCc1cnc(C(F)F)c(C(=O)Nc2nc(-c3ccc(C(F)(F)F)cc3)c(C)[nH]2)c1
InChIInChI=1S/C21H18F5N5O2/c1-10-16(13-3-5-14(6-4-13)21(24,25)26)30-20(29-10)31-19(33)15-7-12(8-27-11(2)32)9-28-17(15)18(22)23/h3-7,9,18H,8H2,1-2H3,(H,27,32)(H2,29,30,31,33)
InChIKeyCGMKDDSJYWMDOQ-UHFFFAOYSA-N
XLogP4.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide (CID 71059686) is 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide is CC(=O)NCc1cnc(C(F)F)c(C(=O)Nc2nc(-c3ccc(C(F)(F)F)cc3)c(C)[nH]2)c1.
What is the InChIKey of 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide?
The InChIKey is CGMKDDSJYWMDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N5O2/c1-10-16(13-3-5-14(6-4-13)21(24,25)26)30-20(29-10)31-19(33)15-7-12(8-27-11(2)32)9-28-17(15)18(22)23/h3-7,9,18H,8H2,1-2H3,(H,27,32)(H2,29,30,31,33).
What are the key properties of 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide?
5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide has a molecular weight of 467.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71059686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).