4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide

C19H15F3N4O — CID 171091332

IUPAC4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2c(C)ccnc2-c2ccc(F)c(C(F)F)n2)cc(C(N)=O)n1
InChIInChI=1S/C19H15F3N4O/c1-9-5-6-24-17(13-4-3-12(20)16(26-13)18(21)22)15(9)11-7-10(2)25-14(8-11)19(23)27/h3-8,18H,1-2H3,(H2,23,27)
InChIKeyVLXUGKBPSRTIND-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.00
Rot. Bonds4

About 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide

4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide (PubChem CID 171091332) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
PubChem CID171091332
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2c(C)ccnc2-c2ccc(F)c(C(F)F)n2)cc(C(N)=O)n1
InChIInChI=1S/C19H15F3N4O/c1-9-5-6-24-17(13-4-3-12(20)16(26-13)18(21)22)15(9)11-7-10(2)25-14(8-11)19(23)27/h3-8,18H,1-2H3,(H2,23,27)
InChIKeyVLXUGKBPSRTIND-UHFFFAOYSA-N
XLogP4.00
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide (CID 171091332) is 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide is Cc1cc(-c2c(C)ccnc2-c2ccc(F)c(C(F)F)n2)cc(C(N)=O)n1.
What is the InChIKey of 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The InChIKey is VLXUGKBPSRTIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-9-5-6-24-17(13-4-3-12(20)16(26-13)18(21)22)15(9)11-7-10(2)25-14(8-11)19(23)27/h3-8,18H,1-2H3,(H2,23,27).
What are the key properties of 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 171091332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).