N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C15H12FN3O — CID 53162838

IUPACN-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ncccc23)ccc1F
InChIInChI=1S/C15H12FN3O/c1-9-7-10(4-5-13(9)16)19-15(20)12-8-18-14-11(12)3-2-6-17-14/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyODUONQMWJNJSAZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.26
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162838) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162838
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ncccc23)ccc1F
InChIInChI=1S/C15H12FN3O/c1-9-7-10(4-5-13(9)16)19-15(20)12-8-18-14-11(12)3-2-6-17-14/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyODUONQMWJNJSAZ-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475032
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
5-amino-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 62811391
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide
CID 59362727

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162838) is N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cc(NC(=O)c2c[nH]c3ncccc23)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ODUONQMWJNJSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-7-10(4-5-13(9)16)19-15(20)12-8-18-14-11(12)3-2-6-17-14/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).