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

C24H24F3N5O2 — CID 118195164

IUPAC6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCNC1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1
InChIInChI=1S/C24H24F3N5O2/c1-15-3-4-16(12-29-15)21-11-17(13-30-22(21)32-10-9-19(14-32)28-2)23(33)31-18-5-7-20(8-6-18)34-24(25,26)27/h3-8,11-13,19,28H,9-10,14H2,1-2H3,(H,31,33)
InChIKeyMKIQRAVALOTEIL-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.40
Rot. Bonds6

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

6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195164) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195164
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCNC1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1
InChIInChI=1S/C24H24F3N5O2/c1-15-3-4-16(12-29-15)21-11-17(13-30-22(21)32-10-9-19(14-32)28-2)23(33)31-18-5-7-20(8-6-18)34-24(25,26)27/h3-8,11-13,19,28H,9-10,14H2,1-2H3,(H,31,33)
InChIKeyMKIQRAVALOTEIL-UHFFFAOYSA-N
XLogP4.40
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195164) is 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CNC1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1.
What is the InChIKey of 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is MKIQRAVALOTEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-15-3-4-16(12-29-15)21-11-17(13-30-22(21)32-10-9-19(14-32)28-2)23(33)31-18-5-7-20(8-6-18)34-24(25,26)27/h3-8,11-13,19,28H,9-10,14H2,1-2H3,(H,31,33).
What are the key properties of 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).