N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C19H17F3N4O3 — CID 11418316

IUPACN-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C19H17F3N4O3/c1-29-6-5-23-18(28)15-10-25-16-14(15)8-13(9-24-16)26-17(27)11-3-2-4-12(7-11)19(20,21)22/h2-4,7-10H,5-6H2,1H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyIFDIMGKVYLXXEV-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.21
Rot. Bonds6

About N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11418316) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11418316
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC NameN-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C19H17F3N4O3/c1-29-6-5-23-18(28)15-10-25-16-14(15)8-13(9-24-16)26-17(27)11-3-2-4-12(7-11)19(20,21)22/h2-4,7-10H,5-6H2,1H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyIFDIMGKVYLXXEV-UHFFFAOYSA-N
XLogP3.21
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11313743
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(2-methoxyethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755996
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]boronic acid
CID 153485953
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3905630
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
CID 55454553
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11418316) is N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COCCNC(=O)c1c[nH]c2ncc(NC(=O)c3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is IFDIMGKVYLXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-29-6-5-23-18(28)15-10-25-16-14(15)8-13(9-24-16)26-17(27)11-3-2-4-12(7-11)19(20,21)22/h2-4,7-10H,5-6H2,1H3,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11418316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).