3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide

C17H21ClF3N5O — CID 78878617

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCCN(C)CC(F)(F)F)n2)n1
InChIInChI=1S/C17H21ClF3N5O/c1-11-9-12(2)26(24-11)14-6-5-13(18)15(23-14)16(27)22-7-4-8-25(3)10-17(19,20)21/h5-6,9H,4,7-8,10H2,1-3H3,(H,22,27)
InChIKeyTYCRZKQRFRNJQY-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.15
Rot. Bonds7

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide (PubChem CID 78878617) has the molecular formula C17H21ClF3N5O and a molecular weight of 403.84 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide
PubChem CID78878617
Molecular FormulaC17H21ClF3N5O
Molecular Weight403.84 g/mol
Exact Mass403.14
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCCN(C)CC(F)(F)F)n2)n1
InChIInChI=1S/C17H21ClF3N5O/c1-11-9-12(2)26(24-11)14-6-5-13(18)15(23-14)16(27)22-7-4-8-25(3)10-17(19,20)21/h5-6,9H,4,7-8,10H2,1-3H3,(H,22,27)
InChIKeyTYCRZKQRFRNJQY-UHFFFAOYSA-N
XLogP3.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide (CID 78878617) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCCN(C)CC(F)(F)F)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is TYCRZKQRFRNJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N5O/c1-11-9-12(2)26(24-11)14-6-5-13(18)15(23-14)16(27)22-7-4-8-25(3)10-17(19,20)21/h5-6,9H,4,7-8,10H2,1-3H3,(H,22,27).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 403.84 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 78878617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).