5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C24H23F3N4O2 — CID 118919251

IUPAC5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCC(C)C2)cn1
InChIInChI=1S/C24H23F3N4O2/c1-15-9-10-31(14-15)22-21(17-4-3-16(2)28-12-17)11-18(13-29-22)23(32)30-19-5-7-20(8-6-19)33-24(25,26)27/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,30,32)
InChIKeyLROQFRDBUUSZGT-UHFFFAOYSA-N
MW456.47 g/mol
LogP5.45
Rot. Bonds5

About 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118919251) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118919251
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCC(C)C2)cn1
InChIInChI=1S/C24H23F3N4O2/c1-15-9-10-31(14-15)22-21(17-4-3-16(2)28-12-17)11-18(13-29-22)23(32)30-19-5-7-20(8-6-19)33-24(25,26)27/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,30,32)
InChIKeyLROQFRDBUUSZGT-UHFFFAOYSA-N
XLogP5.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118919251) is 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCC(C)C2)cn1.
What is the InChIKey of 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is LROQFRDBUUSZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-15-9-10-31(14-15)22-21(17-4-3-16(2)28-12-17)11-18(13-29-22)23(32)30-19-5-7-20(8-6-19)33-24(25,26)27/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,30,32).
What are the key properties of 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118919251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).