N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H13F3N4O2 — CID 68637896

IUPACN-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1cnc2[nH]ccc2c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)9-25-13-2-1-12(8-21-13)15(24)23-7-10-5-11-3-4-20-14(11)22-6-10/h1-6,8H,7,9H2,(H,20,22)(H,23,24)
InChIKeyRJELNJXFMPITTA-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.83
Rot. Bonds5

About N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 68637896) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID68637896
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1cnc2[nH]ccc2c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)9-25-13-2-1-12(8-21-13)15(24)23-7-10-5-11-3-4-20-14(11)22-6-10/h1-6,8H,7,9H2,(H,20,22)(H,23,24)
InChIKeyRJELNJXFMPITTA-UHFFFAOYSA-N
XLogP2.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
CID 68629889
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46446596
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
2-[4-[[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698922
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
1-[[4-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide
CID 135120948
N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 86810517
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 68637896) is N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1cnc2[nH]ccc2c1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is RJELNJXFMPITTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c17-16(18,19)9-25-13-2-1-12(8-21-13)15(24)23-7-10-5-11-3-4-20-14(11)22-6-10/h1-6,8H,7,9H2,(H,20,22)(H,23,24).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 68637896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).