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

C22H24ClF3N4O3 — CID 44527546

IUPAC5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1N1CCN(c2ncc(C(=O)NC3CC3)cc2Cl)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23ClN4O.C2HF3O2/c1-14-4-2-3-5-18(14)24-8-10-25(11-9-24)19-17(21)12-15(13-22-19)20(26)23-16-6-7-16;3-2(4,5)1(6)7/h2-5,12-13,16H,6-11H2,1H3,(H,23,26);(H,6,7)
InChIKeyMEQQFOCFQOEZQZ-UHFFFAOYSA-N
MW484.91 g/mol
LogP3.90
Rot. Bonds4

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

5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527546) has the molecular formula C22H24ClF3N4O3 and a molecular weight of 484.91 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527546
Molecular FormulaC22H24ClF3N4O3
Molecular Weight484.91 g/mol
Exact Mass484.15
IUPAC Name5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1N1CCN(c2ncc(C(=O)NC3CC3)cc2Cl)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23ClN4O.C2HF3O2/c1-14-4-2-3-5-18(14)24-8-10-25(11-9-24)19-17(21)12-15(13-22-19)20(26)23-16-6-7-16;3-2(4,5)1(6)7/h2-5,12-13,16H,6-11H2,1H3,(H,23,26);(H,6,7)
InChIKeyMEQQFOCFQOEZQZ-UHFFFAOYSA-N
XLogP3.90
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44527546) is 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccccc1N1CCN(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)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MEQQFOCFQOEZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O.C2HF3O2/c1-14-4-2-3-5-18(14)24-8-10-25(11-9-24)19-17(21)12-15(13-22-19)20(26)23-16-6-7-16;3-2(4,5)1(6)7/h2-5,12-13,16H,6-11H2,1H3,(H,23,26);(H,6,7).
What are the key properties of 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.91 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).