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

C15H12FN3O — CID 141390704

IUPACN-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc2cccnc2[nH]1
InChIInChI=1S/C15H12FN3O/c1-9-7-11(16)4-5-12(9)19-15(20)13-8-10-3-2-6-17-14(10)18-13/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNJEVCSMBPULDCM-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.26
Rot. Bonds2

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

N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 141390704) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID141390704
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc2cccnc2[nH]1
InChIInChI=1S/C15H12FN3O/c1-9-7-11(16)4-5-12(9)19-15(20)13-8-10-3-2-6-17-14(10)18-13/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyNJEVCSMBPULDCM-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-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
N-(2-chloro-6-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390702
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179
N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390644
N-(2,6-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390705
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53486940
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 141390704) is N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc2cccnc2[nH]1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is NJEVCSMBPULDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-7-11(16)4-5-12(9)19-15(20)13-8-10-3-2-6-17-14(10)18-13/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-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-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 141390704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).