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

C24H24F3N3O4S — CID 73296410

IUPAC6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)(=O)=O)cn2)cn1C(C)C
InChIInChI=1S/C24H24F3N3O4S/c1-14(2)30-13-20(23(32)29-11-18-8-9-19(12-28-18)35(4,33)34)22(31)21(15(30)3)16-6-5-7-17(10-16)24(25,26)27/h5-10,12-14H,11H2,1-4H3,(H,29,32)
InChIKeyRZZQVDZFBJGBHT-UHFFFAOYSA-N
MW507.53 g/mol
LogP4.15
Rot. Bonds6

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

6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 73296410) has the molecular formula C24H24F3N3O4S and a molecular weight of 507.53 g/mol. Its IUPAC name is 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID73296410
Molecular FormulaC24H24F3N3O4S
Molecular Weight507.53 g/mol
Exact Mass507.14
IUPAC Name6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)(=O)=O)cn2)cn1C(C)C
InChIInChI=1S/C24H24F3N3O4S/c1-14(2)30-13-20(23(32)29-11-18-8-9-19(12-28-18)35(4,33)34)22(31)21(15(30)3)16-6-5-7-17(10-16)24(25,26)27/h5-10,12-14H,11H2,1-4H3,(H,29,32)
InChIKeyRZZQVDZFBJGBHT-UHFFFAOYSA-N
XLogP4.15
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 73296410) is 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)(=O)=O)cn2)cn1C(C)C.
What is the InChIKey of 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RZZQVDZFBJGBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4S/c1-14(2)30-13-20(23(32)29-11-18-8-9-19(12-28-18)35(4,33)34)22(31)21(15(30)3)16-6-5-7-17(10-16)24(25,26)27/h5-10,12-14H,11H2,1-4H3,(H,29,32).
What are the key properties of 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 507.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 73296410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).