4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide

C20H18F3N3O2 — CID 156654472

IUPAC4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
SMILESC#CC(C)(C)N(C(=O)Cc1ccccc1C(F)(F)F)c1ccnc(C(N)=O)c1
InChIInChI=1S/C20H18F3N3O2/c1-4-19(2,3)26(14-9-10-25-16(12-14)18(24)28)17(27)11-13-7-5-6-8-15(13)20(21,22)23/h1,5-10,12H,11H2,2-3H3,(H2,24,28)
InChIKeyGSHXBBDFVDBJSX-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.19
Rot. Bonds5

About 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide

4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide (PubChem CID 156654472) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
PubChem CID156654472
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
SMILESC#CC(C)(C)N(C(=O)Cc1ccccc1C(F)(F)F)c1ccnc(C(N)=O)c1
InChIInChI=1S/C20H18F3N3O2/c1-4-19(2,3)26(14-9-10-25-16(12-14)18(24)28)17(27)11-13-7-5-6-8-15(13)20(21,22)23/h1,5-10,12H,11H2,2-3H3,(H2,24,28)
InChIKeyGSHXBBDFVDBJSX-UHFFFAOYSA-N
XLogP3.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 123368878
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 133313281
4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 86920890
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
CID 133313933
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 134047362
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide
CID 162622857

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide (CID 156654472) is 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide is C#CC(C)(C)N(C(=O)Cc1ccccc1C(F)(F)F)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The InChIKey is GSHXBBDFVDBJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-4-19(2,3)26(14-9-10-25-16(12-14)18(24)28)17(27)11-13-7-5-6-8-15(13)20(21,22)23/h1,5-10,12H,11H2,2-3H3,(H2,24,28).
What are the key properties of 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylbut-3-yn-2-yl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 156654472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).