N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide

C23H21FN4O — CID 46965507

IUPACN-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21
InChIInChI=1S/C23H21FN4O/c1-16-20(6-3-11-25-16)23(29)27-13-4-14-28-21(17-7-9-19(24)10-8-17)15-18-5-2-12-26-22(18)28/h2-3,5-12,15H,4,13-14H2,1H3,(H,27,29)
InChIKeyCPOLCAOQKVZOBI-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.37
Rot. Bonds6

About N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide

N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide (PubChem CID 46965507) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide
PubChem CID46965507
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21
InChIInChI=1S/C23H21FN4O/c1-16-20(6-3-11-25-16)23(29)27-13-4-14-28-21(17-7-9-19(24)10-8-17)15-18-5-2-12-26-22(18)28/h2-3,5-12,15H,4,13-14H2,1H3,(H,27,29)
InChIKeyCPOLCAOQKVZOBI-UHFFFAOYSA-N
XLogP4.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]benzamide;hydrochloride
CID 171700035
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 110245309
cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide
CID 51499433
2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide;hydrochloride
CID 171667295
2-cyclopentyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]acetamide;hydrochloride
CID 171667292
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 51502985
1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide
CID 7620684
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844208
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide (CID 46965507) is N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide?
The InChIKey is CPOLCAOQKVZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-16-20(6-3-11-25-16)23(29)27-13-4-14-28-21(17-7-9-19(24)10-8-17)15-18-5-2-12-26-22(18)28/h2-3,5-12,15H,4,13-14H2,1H3,(H,27,29).
What are the key properties of N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide?
N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 46965507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).