N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C20H18FN3O3S — CID 90227249

IUPACN-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(S(=O)(=O)CF)ccc2C)cn1
InChIInChI=1S/C20H18FN3O3S/c1-13-3-5-16(28(26,27)12-21)9-17(13)15-4-6-19(23-10-15)24-20(25)18-11-22-8-7-14(18)2/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyPMLGGRYSJLAKDI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.71
Rot. Bonds5

About N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 90227249) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID90227249
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(S(=O)(=O)CF)ccc2C)cn1
InChIInChI=1S/C20H18FN3O3S/c1-13-3-5-16(28(26,27)12-21)9-17(13)15-4-6-19(23-10-15)24-20(25)18-11-22-8-7-14(18)2/h3-11H,12H2,1-2H3,(H,23,24,25)
InChIKeyPMLGGRYSJLAKDI-UHFFFAOYSA-N
XLogP3.71
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 90227249) is N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(-c2cc(S(=O)(=O)CF)ccc2C)cn1.
What is the InChIKey of N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is PMLGGRYSJLAKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-13-3-5-16(28(26,27)12-21)9-17(13)15-4-6-19(23-10-15)24-20(25)18-11-22-8-7-14(18)2/h3-11H,12H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 90227249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).