5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C22H23ClF3N3O3 — CID 44527552

IUPAC5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1cnc(N2CCC(c3ccccc3)CC2)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22ClN3O.C2HF3O2/c21-18-12-16(20(25)23-17-6-7-17)13-22-19(18)24-10-8-15(9-11-24)14-4-2-1-3-5-14;3-2(4,5)1(6)7/h1-5,12-13,15,17H,6-11H2,(H,23,25);(H,6,7)
InChIKeyKZQMRTAEHYBXMK-UHFFFAOYSA-N
MW469.89 g/mol
LogP4.64
Rot. Bonds4

About 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527552) has the molecular formula C22H23ClF3N3O3 and a molecular weight of 469.89 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527552
Molecular FormulaC22H23ClF3N3O3
Molecular Weight469.89 g/mol
Exact Mass469.14
IUPAC Name5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1cnc(N2CCC(c3ccccc3)CC2)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22ClN3O.C2HF3O2/c21-18-12-16(20(25)23-17-6-7-17)13-22-19(18)24-10-8-15(9-11-24)14-4-2-1-3-5-14;3-2(4,5)1(6)7/h1-5,12-13,15,17H,6-11H2,(H,23,25);(H,6,7)
InChIKeyKZQMRTAEHYBXMK-UHFFFAOYSA-N
XLogP4.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.89
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44527552) is 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)c1cnc(N2CCC(c3ccccc3)CC2)c(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KZQMRTAEHYBXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O.C2HF3O2/c21-18-12-16(20(25)23-17-6-7-17)13-22-19(18)24-10-8-15(9-11-24)14-4-2-1-3-5-14;3-2(4,5)1(6)7/h1-5,12-13,15,17H,6-11H2,(H,23,25);(H,6,7).
What are the key properties of 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 469.89 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).