methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate

C15H14F3N3O4 — CID 166213529

IUPACmethyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O4/c1-8-5-10(12(20-8)14(23)24-2)21-13(22)9-3-4-19-11(6-9)25-7-15(16,17)18/h3-6,20H,7H2,1-2H3,(H,21,22)
InChIKeyGBMNXLGGRSAQOJ-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.70
Rot. Bonds5

About methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate

methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate (PubChem CID 166213529) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
PubChem CID166213529
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Namemethyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O4/c1-8-5-10(12(20-8)14(23)24-2)21-13(22)9-3-4-19-11(6-9)25-7-15(16,17)18/h3-6,20H,7H2,1-2H3,(H,21,22)
InChIKeyGBMNXLGGRSAQOJ-UHFFFAOYSA-N
XLogP2.70
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 167783555
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
CID 136527634
methyl 3-[(4-chloropyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167947103
methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
CID 166201187
methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 166367632
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
methyl 3-[[4-[(1S)-1-aminoethyl]benzoyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167931555
methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate
CID 114074883
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
4-[4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]phenoxy]butanoic acid
CID 120530778
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate (CID 166213529) is methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate?
The InChIKey is GBMNXLGGRSAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c1-8-5-10(12(20-8)14(23)24-2)21-13(22)9-3-4-19-11(6-9)25-7-15(16,17)18/h3-6,20H,7H2,1-2H3,(H,21,22).
What are the key properties of methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate?
methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate has a molecular weight of 357.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 166213529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).