N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide

C17H16F3N5O2 — CID 139348425

IUPACN-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cn[nH]c2C(F)(F)F)ccn1
InChIInChI=1S/C17H16F3N5O2/c1-4-16(2,3)24-15(27)12-8-11(5-6-21-12)23-13(26)7-10-9-22-25-14(10)17(18,19)20/h1,5-6,8-9H,7H2,2-3H3,(H,22,25)(H,24,27)(H,21,23,26)
InChIKeyVMRHHDOMDZADQW-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.15
Rot. Bonds5

About N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide

N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide (PubChem CID 139348425) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide
PubChem CID139348425
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cn[nH]c2C(F)(F)F)ccn1
InChIInChI=1S/C17H16F3N5O2/c1-4-16(2,3)24-15(27)12-8-11(5-6-21-12)23-13(26)7-10-9-22-25-14(10)17(18,19)20/h1,5-6,8-9H,7H2,2-3H3,(H,22,25)(H,24,27)(H,21,23,26)
InChIKeyVMRHHDOMDZADQW-UHFFFAOYSA-N
XLogP2.15
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 139348232
4-[[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 139347832
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
N-(2-methylbut-3-yn-2-yl)-4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]pyridine-2-carboxamide
CID 162222844
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
4-[3-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 158980903
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932
N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348461
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylpentan-2-yl)pyridine-2-carboxamide
CID 139347713
N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 139348148

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide (CID 139348425) is N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide is C#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cn[nH]c2C(F)(F)F)ccn1.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide?
The InChIKey is VMRHHDOMDZADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-4-16(2,3)24-15(27)12-8-11(5-6-21-12)23-13(26)7-10-9-22-25-14(10)17(18,19)20/h1,5-6,8-9H,7H2,2-3H3,(H,22,25)(H,24,27)(H,21,23,26).
What are the key properties of N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide?
N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)-4-[[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139348425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).