4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide

C15H12FN3O — CID 134793219

IUPAC4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccnc2[nH]ccc12)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-10(2-4-12)15(20)19-9-11-5-7-17-14-13(11)6-8-18-14/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyRJJDXVWKGZLXNZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.63
Rot. Bonds3

About 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide

4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide (PubChem CID 134793219) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
PubChem CID134793219
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccnc2[nH]ccc12)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-10(2-4-12)15(20)19-9-11-5-7-17-14-13(11)6-8-18-14/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKeyRJJDXVWKGZLXNZ-UHFFFAOYSA-N
XLogP2.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylcarbamothioylamino)ethyl]prop-2-ynamide
CID 71555236
N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide
CID 134791858
N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166358840
N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166231513
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 167824179
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide
CID 59437298
1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine;dihydrochloride
CID 69263704
N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
CID 171059896
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide (CID 134793219) is 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide is O=C(NCc1ccnc2[nH]ccc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
The InChIKey is RJJDXVWKGZLXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-3-1-10(2-4-12)15(20)19-9-11-5-7-17-14-13(11)6-8-18-14/h1-8H,9H2,(H,17,18)(H,19,20).
What are the key properties of 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide?
4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide has a molecular weight of 269.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 134793219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).