N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide

C17H16F3N3O3 — CID 136527634

IUPACN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2ccnc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3N3O3/c1-10-3-4-11(15(24)21-2)7-13(10)23-16(25)12-5-6-22-14(8-12)26-9-17(18,19)20/h3-8H,9H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyGELKYMRBUZLVMD-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.94
Rot. Bonds5

About N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide

N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide (PubChem CID 136527634) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
PubChem CID136527634
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2ccnc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3N3O3/c1-10-3-4-11(15(24)21-2)7-13(10)23-16(25)12-5-6-22-14(8-12)26-9-17(18,19)20/h3-8H,9H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyGELKYMRBUZLVMD-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
CID 166213529
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
3-benzamido-N,4-dimethylbenzamide
CID 17226324
4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 138753377
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
4-[4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]phenoxy]butanoic acid
CID 120530778
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 86991144
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120519827
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
CID 143484449

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide (CID 136527634) is N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2ccnc(OCC(F)(F)F)c2)c1.
What is the InChIKey of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
The InChIKey is GELKYMRBUZLVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-10-3-4-11(15(24)21-2)7-13(10)23-16(25)12-5-6-22-14(8-12)26-9-17(18,19)20/h3-8H,9H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide?
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 136527634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).