N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H20FN3O — CID 138674482

IUPACN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCCCc1ccc(-c2ccccc2F)cc1)c1cc2cccnc2[nH]1
InChIInChI=1S/C23H20FN3O/c24-20-8-2-1-7-19(20)17-11-9-16(10-12-17)5-3-14-26-23(28)21-15-18-6-4-13-25-22(18)27-21/h1-2,4,6-13,15H,3,5,14H2,(H,25,27)(H,26,28)
InChIKeyPKRFIUMUVHSGIK-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.73
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 138674482) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID138674482
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCCCc1ccc(-c2ccccc2F)cc1)c1cc2cccnc2[nH]1
InChIInChI=1S/C23H20FN3O/c24-20-8-2-1-7-19(20)17-11-9-16(10-12-17)5-3-14-26-23(28)21-15-18-6-4-13-25-22(18)27-21/h1-2,4,6-13,15H,3,5,14H2,(H,25,27)(H,26,28)
InChIKeyPKRFIUMUVHSGIK-UHFFFAOYSA-N
XLogP4.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 138674443
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
CID 138674577
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2,3-dihydro-1H-benzotriazole-5-carboxamide
CID 176943782
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
CID 138674657
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138674538
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640
5-[3-[4-[3-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]propyl]phenyl]-4-fluorophenyl]-N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrole-2-carboxamide
CID 138722229
N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758339
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 138674482) is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1cc2cccnc2[nH]1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is PKRFIUMUVHSGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-20-8-2-1-7-19(20)17-11-9-16(10-12-17)5-3-14-26-23(28)21-15-18-6-4-13-25-22(18)27-21/h1-2,4,6-13,15H,3,5,14H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 138674482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).