6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

C21H24F4N6O — CID 71112161

IUPAC6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCN(N)c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cn1
InChIInChI=1S/C21H24F4N6O/c1-29(26)18-5-2-13(11-27-18)20(32)31(15-3-4-15)16-6-8-30(9-7-16)19-17(22)10-14(12-28-19)21(23,24)25/h2,5,10-12,15-16H,3-4,6-9,26H2,1H3
InChIKeyXCKFAIKPWRSARN-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.22
Rot. Bonds5

About 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 71112161) has the molecular formula C21H24F4N6O and a molecular weight of 452.46 g/mol. Its IUPAC name is 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID71112161
Molecular FormulaC21H24F4N6O
Molecular Weight452.46 g/mol
Exact Mass452.19
IUPAC Name6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCN(N)c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cn1
InChIInChI=1S/C21H24F4N6O/c1-29(26)18-5-2-13(11-27-18)20(32)31(15-3-4-15)16-6-8-30(9-7-16)19-17(22)10-14(12-28-19)21(23,24)25/h2,5,10-12,15-16H,3-4,6-9,26H2,1H3
InChIKeyXCKFAIKPWRSARN-UHFFFAOYSA-N
XLogP3.22
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide 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 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (CID 71112161) is 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is CN(N)c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cn1.
What is the InChIKey of 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XCKFAIKPWRSARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N6O/c1-29(26)18-5-2-13(11-27-18)20(32)31(15-3-4-15)16-6-8-30(9-7-16)19-17(22)10-14(12-28-19)21(23,24)25/h2,5,10-12,15-16H,3-4,6-9,26H2,1H3.
What are the key properties of 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71112161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).