2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

C19H19F3N4O3 — CID 177163605

IUPAC2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3cc(C(F)(F)F)n(C)c(=O)c32)c1C
InChIInChI=1S/C19H19F3N4O3/c1-8-5-6-11(29-4)9(2)14(8)26-15-10(13(16(26)23)17(24)27)7-12(19(20,21)22)25(3)18(15)28/h5-7H,23H2,1-4H3,(H2,24,27)
InChIKeyVLVAAQOZHVMMJT-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.65
Rot. Bonds3

About 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 177163605) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID177163605
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3cc(C(F)(F)F)n(C)c(=O)c32)c1C
InChIInChI=1S/C19H19F3N4O3/c1-8-5-6-11(29-4)9(2)14(8)26-15-10(13(16(26)23)17(24)27)7-12(19(20,21)22)25(3)18(15)28/h5-7H,23H2,1-4H3,(H2,24,27)
InChIKeyVLVAAQOZHVMMJT-UHFFFAOYSA-N
XLogP2.65
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (CID 177163605) is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is COc1ccc(C)c(-n2c(N)c(C(N)=O)c3cc(C(F)(F)F)n(C)c(=O)c32)c1C.
What is the InChIKey of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is VLVAAQOZHVMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-8-5-6-11(29-4)9(2)14(8)26-15-10(13(16(26)23)17(24)27)7-12(19(20,21)22)25(3)18(15)28/h5-7H,23H2,1-4H3,(H2,24,27).
What are the key properties of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 177163605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).