2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide

C17H16F3N3O3 — CID 67509879

IUPAC2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cc(C)cc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3N3O3/c1-10-5-12(7-14(6-10)26-17(18,19)20)9-22-16(25)13-3-4-21-15(8-13)23-11(2)24/h3-8H,9H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyMVEXXXZUWQPQLW-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.18
Rot. Bonds5

About 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide

2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 67509879) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
PubChem CID67509879
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cc(C)cc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3N3O3/c1-10-5-12(7-14(6-10)26-17(18,19)20)9-22-16(25)13-3-4-21-15(8-13)23-11(2)24/h3-8H,9H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyMVEXXXZUWQPQLW-UHFFFAOYSA-N
XLogP3.18
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 162566186
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
CID 162566379
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
CID 56966803
2-acetamido-N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509581
2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509106
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide
CID 157148692
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-(2-methylphenyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566269

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (CID 67509879) is 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCc2cc(C)cc(OC(F)(F)F)c2)ccn1.
What is the InChIKey of 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is MVEXXXZUWQPQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-10-5-12(7-14(6-10)26-17(18,19)20)9-22-16(25)13-3-4-21-15(8-13)23-11(2)24/h3-8H,9H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67509879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).