6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C18H18F3N3O2 — CID 167760823

IUPAC6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc2c(n1)NC(C(=O)NCCc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C18H18F3N3O2/c1-26-15-7-6-12-10-14(23-16(12)24-15)17(25)22-9-8-11-4-2-3-5-13(11)18(19,20)21/h2-7,14H,8-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyZBZBAKIZDKEJTF-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.80
Rot. Bonds5

About 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 167760823) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID167760823
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc2c(n1)NC(C(=O)NCCc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C18H18F3N3O2/c1-26-15-7-6-12-10-14(23-16(12)24-15)17(25)22-9-8-11-4-2-3-5-13(11)18(19,20)21/h2-7,14H,8-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyZBZBAKIZDKEJTF-UHFFFAOYSA-N
XLogP2.80
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 95059523
2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975402
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 42591861
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106397579
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 24791595
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
2-fluoro-6-methoxy-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089531
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 167760823) is 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1ccc2c(n1)NC(C(=O)NCCc1ccccc1C(F)(F)F)C2.
What is the InChIKey of 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZBZBAKIZDKEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-26-15-7-6-12-10-14(23-16(12)24-15)17(25)22-9-8-11-4-2-3-5-13(11)18(19,20)21/h2-7,14H,8-10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167760823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).