6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H25ClF3N3O3 — CID 44527554

IUPAC6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1cnc(N2CCC(Cc3ccccc3)CC2)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24ClN3O.C2HF3O2/c22-19-13-17(21(26)24-18-6-7-18)14-23-20(19)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15;3-2(4,5)1(6)7/h1-5,13-14,16,18H,6-12H2,(H,24,26);(H,6,7)
InChIKeyKMTKQQVJNGYOIL-UHFFFAOYSA-N
MW483.92 g/mol
LogP4.72
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527554) has the molecular formula C23H25ClF3N3O3 and a molecular weight of 483.92 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527554
Molecular FormulaC23H25ClF3N3O3
Molecular Weight483.92 g/mol
Exact Mass483.15
IUPAC Name6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1cnc(N2CCC(Cc3ccccc3)CC2)c(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24ClN3O.C2HF3O2/c22-19-13-17(21(26)24-18-6-7-18)14-23-20(19)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15;3-2(4,5)1(6)7/h1-5,13-14,16,18H,6-12H2,(H,24,26);(H,6,7)
InChIKeyKMTKQQVJNGYOIL-UHFFFAOYSA-N
XLogP4.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44527554) is 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)c1cnc(N2CCC(Cc3ccccc3)CC2)c(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KMTKQQVJNGYOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.C2HF3O2/c22-19-13-17(21(26)24-18-6-7-18)14-23-20(19)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15;3-2(4,5)1(6)7/h1-5,13-14,16,18H,6-12H2,(H,24,26);(H,6,7).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 483.92 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).