6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C24H23F3N6O3 — CID 118199975

IUPAC6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(=O)NC1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1
InChIInChI=1S/C24H23F3N6O3/c1-15(34)31-19-3-2-8-33(13-19)22-21(17-10-28-14-29-11-17)9-16(12-30-22)23(35)32-18-4-6-20(7-5-18)36-24(25,26)27/h4-7,9-12,14,19H,2-3,8,13H2,1H3,(H,31,34)(H,32,35)
InChIKeyDOGYOFTWSUACEL-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.79
Rot. Bonds6

About 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118199975) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118199975
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(=O)NC1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1
InChIInChI=1S/C24H23F3N6O3/c1-15(34)31-19-3-2-8-33(13-19)22-21(17-10-28-14-29-11-17)9-16(12-30-22)23(35)32-18-4-6-20(7-5-18)36-24(25,26)27/h4-7,9-12,14,19H,2-3,8,13H2,1H3,(H,31,34)(H,32,35)
InChIKeyDOGYOFTWSUACEL-UHFFFAOYSA-N
XLogP3.79
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118199975) is 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CC(=O)NC1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.
What is the InChIKey of 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is DOGYOFTWSUACEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-15(34)31-19-3-2-8-33(13-19)22-21(17-10-28-14-29-11-17)9-16(12-30-22)23(35)32-18-4-6-20(7-5-18)36-24(25,26)27/h4-7,9-12,14,19H,2-3,8,13H2,1H3,(H,31,34)(H,32,35).
What are the key properties of 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidopiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118199975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).