2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

C19H20F3N3O2 — CID 162566186

IUPAC2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c1-11(2)17(26)25-16-9-14(4-5-23-16)18(27)24-10-13-6-12(3)7-15(8-13)19(20,21)22/h4-9,11H,10H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyAFQNVQVQDJPUPG-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 162566186) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID162566186
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O2/c1-11(2)17(26)25-16-9-14(4-5-23-16)18(27)24-10-13-6-12(3)7-15(8-13)19(20,21)22/h4-9,11H,10H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyAFQNVQVQDJPUPG-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-(2-methylpropanoylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide
CID 142503801
2-(2-methylpropanoylamino)-N-[[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67508766
N-[[6-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566194
2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67509879
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
N-[[4-(2,2-difluorobutoxy)-3-methoxyphenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566329
N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 137368007
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 162566186) is 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is Cc1cc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is AFQNVQVQDJPUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11(2)17(26)25-16-9-14(4-5-23-16)18(27)24-10-13-6-12(3)7-15(8-13)19(20,21)22/h4-9,11H,10H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 162566186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).