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

C23H26F3N3O3 — CID 44527526

IUPACN-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1C1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c1-15-4-2-3-5-19(15)16-10-12-24(13-11-16)20-9-6-17(14-22-20)21(25)23-18-7-8-18;3-2(4,5)1(6)7/h2-6,9,14,16,18H,7-8,10-13H2,1H3,(H,23,25);(H,6,7)
InChIKeyRQWQUWMFAGXWSC-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.30
Rot. Bonds4

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

N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527526) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527526
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC NameN-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1C1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N3O.C2HF3O2/c1-15-4-2-3-5-19(15)16-10-12-24(13-11-16)20-9-6-17(14-22-20)21(25)23-18-7-8-18;3-2(4,5)1(6)7/h2-6,9,14,16,18H,7-8,10-13H2,1H3,(H,23,25);(H,6,7)
InChIKeyRQWQUWMFAGXWSC-UHFFFAOYSA-N
XLogP4.30
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 44527526) is N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccccc1C1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RQWQUWMFAGXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.C2HF3O2/c1-15-4-2-3-5-19(15)16-10-12-24(13-11-16)20-9-6-17(14-22-20)21(25)23-18-7-8-18;3-2(4,5)1(6)7/h2-6,9,14,16,18H,7-8,10-13H2,1H3,(H,23,25);(H,6,7).
What are the key properties of N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).