1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H24F3N3O5S — CID 73296412

IUPAC1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H24F3N3O5S/c1-15-21(16-5-4-6-17(11-16)24(25,26)27)22(31)20(14-30(15)9-10-35-2)23(32)29-12-18-7-8-19(13-28-18)36(3,33)34/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,29,32)
InChIKeyPNUVVSCHCDWKDU-UHFFFAOYSA-N
MW523.53 g/mol
LogP3.22
Rot. Bonds8

About 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 73296412) has the molecular formula C24H24F3N3O5S and a molecular weight of 523.53 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID73296412
Molecular FormulaC24H24F3N3O5S
Molecular Weight523.53 g/mol
Exact Mass523.14
IUPAC Name1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H24F3N3O5S/c1-15-21(16-5-4-6-17(11-16)24(25,26)27)22(31)20(14-30(15)9-10-35-2)23(32)29-12-18-7-8-19(13-28-18)36(3,33)34/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,29,32)
InChIKeyPNUVVSCHCDWKDU-UHFFFAOYSA-N
XLogP3.22
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 73296412) is 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PNUVVSCHCDWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O5S/c1-15-21(16-5-4-6-17(11-16)24(25,26)27)22(31)20(14-30(15)9-10-35-2)23(32)29-12-18-7-8-19(13-28-18)36(3,33)34/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,29,32).
What are the key properties of 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 523.53 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 73296412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).