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

C24H25F3N4O4S — CID 73296411

IUPAC1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCC[C@H](C)n1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)c(-c2ccnc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H25F3N4O4S/c1-5-14(2)31-13-19(23(33)30-11-17-6-7-18(12-29-17)36(4,34)35)22(32)21(15(31)3)16-8-9-28-20(10-16)24(25,26)27/h6-10,12-14H,5,11H2,1-4H3,(H,30,33)/t14-/m0/s1
InChIKeyXFLIAKRDVMGNHA-AWEZNQCLSA-N
MW522.55 g/mol
LogP3.94
Rot. Bonds7

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

1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 73296411) has the molecular formula C24H25F3N4O4S and a molecular weight of 522.55 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID73296411
Molecular FormulaC24H25F3N4O4S
Molecular Weight522.55 g/mol
Exact Mass522.15
IUPAC Name1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCC[C@H](C)n1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)c(-c2ccnc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H25F3N4O4S/c1-5-14(2)31-13-19(23(33)30-11-17-6-7-18(12-29-17)36(4,34)35)22(32)21(15(31)3)16-8-9-28-20(10-16)24(25,26)27/h6-10,12-14H,5,11H2,1-4H3,(H,30,33)/t14-/m0/s1
InChIKeyXFLIAKRDVMGNHA-AWEZNQCLSA-N
XLogP3.94
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

CID 118282339
CID 118282339
CID 91826726
CID 91826726
CID 3240783
CID 3240783
CID 66710713
CID 66710713
CID 66710353
CID 66710353
CID 66710552
CID 66710552
CID 73296271
CID 73296271
CID 73296272
CID 73296272
CID 73296410
CID 73296410
CID 73296412
CID 73296412
CID 73296413
CID 73296413
CID 73332041
CID 73332041

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide (CID 73296411) is 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide is CC[C@H](C)n1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)c(-c2ccnc(C(F)(F)F)c2)c1C.
What is the InChIKey of 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is XFLIAKRDVMGNHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25F3N4O4S/c1-5-14(2)31-13-19(23(33)30-11-17-6-7-18(12-29-17)36(4,34)35)22(32)21(15(31)3)16-8-9-28-20(10-16)24(25,26)27/h6-10,12-14H,5,11H2,1-4H3,(H,30,33)/t14-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 522.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-6-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-oxo-5-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 73296411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).