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

C23H21F3N6O3 — CID 118198916

IUPAC6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESNC(=O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1
InChIInChI=1S/C23H21F3N6O3/c24-23(25,26)35-18-3-1-17(2-4-18)31-22(34)15-9-19(16-10-28-13-29-11-16)21(30-12-15)32-7-5-14(6-8-32)20(27)33/h1-4,9-14H,5-8H2,(H2,27,33)(H,31,34)
InChIKeyQUNXMSWDJRDURH-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.39
Rot. Bonds6

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

6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118198916) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 g/mol. Its IUPAC name is 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118198916
Molecular FormulaC23H21F3N6O3
Molecular Weight486.45 g/mol
Exact Mass486.16
IUPAC Name6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESNC(=O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1
InChIInChI=1S/C23H21F3N6O3/c24-23(25,26)35-18-3-1-17(2-4-18)31-22(34)15-9-19(16-10-28-13-29-11-16)21(30-12-15)32-7-5-14(6-8-32)20(27)33/h1-4,9-14H,5-8H2,(H2,27,33)(H,31,34)
InChIKeyQUNXMSWDJRDURH-UHFFFAOYSA-N
XLogP3.39
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118198916) is 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is NC(=O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.
What is the InChIKey of 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is QUNXMSWDJRDURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/c24-23(25,26)35-18-3-1-17(2-4-18)31-22(34)15-9-19(16-10-28-13-29-11-16)21(30-12-15)32-7-5-14(6-8-32)20(27)33/h1-4,9-14H,5-8H2,(H2,27,33)(H,31,34).
What are the key properties of 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118198916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).