5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H25ClF3N3O3 — CID 44527560

IUPAC5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1C1CCN(c2ncc(C(=O)NC3CC3)cc2Cl)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24ClN3O.C2HF3O2/c1-14-4-2-3-5-18(14)15-8-10-25(11-9-15)20-19(22)12-16(13-23-20)21(26)24-17-6-7-17;3-2(4,5)1(6)7/h2-5,12-13,15,17H,6-11H2,1H3,(H,24,26);(H,6,7)
InChIKeySPOCFXZBYPSTNJ-UHFFFAOYSA-N
MW483.92 g/mol
LogP4.95
Rot. Bonds4

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

5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527560) has the molecular formula C23H25ClF3N3O3 and a molecular weight of 483.92 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527560
Molecular FormulaC23H25ClF3N3O3
Molecular Weight483.92 g/mol
Exact Mass483.15
IUPAC Name5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1C1CCN(c2ncc(C(=O)NC3CC3)cc2Cl)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24ClN3O.C2HF3O2/c1-14-4-2-3-5-18(14)15-8-10-25(11-9-15)20-19(22)12-16(13-23-20)21(26)24-17-6-7-17;3-2(4,5)1(6)7/h2-5,12-13,15,17H,6-11H2,1H3,(H,24,26);(H,6,7)
InChIKeySPOCFXZBYPSTNJ-UHFFFAOYSA-N
XLogP4.95
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 54.95
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-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44527560) is 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccccc1C1CCN(c2ncc(C(=O)NC3CC3)cc2Cl)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SPOCFXZBYPSTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.C2HF3O2/c1-14-4-2-3-5-18(14)15-8-10-25(11-9-15)20-19(22)12-16(13-23-20)21(26)24-17-6-7-17;3-2(4,5)1(6)7/h2-5,12-13,15,17H,6-11H2,1H3,(H,24,26);(H,6,7).
What are the key properties of 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 483.92 g/mol, XLogP of 4.95, 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-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).