N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C18H18FN3O2 — CID 168938269

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCON(C(=O)c1cnc2[nH]ccc2c1)C(C)Cc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-12(9-13-5-3-4-6-16(13)19)22(24-2)18(23)15-10-14-7-8-20-17(14)21-11-15/h3-8,10-12H,9H2,1-2H3,(H,20,21)
InChIKeyAKATWKPKMOEGEG-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.34
Rot. Bonds5

About N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 168938269) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID168938269
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCON(C(=O)c1cnc2[nH]ccc2c1)C(C)Cc1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-12(9-13-5-3-4-6-16(13)19)22(24-2)18(23)15-10-14-7-8-20-17(14)21-11-15/h3-8,10-12H,9H2,1-2H3,(H,20,21)
InChIKeyAKATWKPKMOEGEG-UHFFFAOYSA-N
XLogP3.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-(2-fluorophenyl)-1-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)propan-2-yl]-2-hydroxy-3-phenylpropanamide
CID 67194160
N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 150987642
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate
CID 12070578
(2S)-2-[2-(dimethylamino)propanoylamino]-3-(3-fluorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)propanamide
CID 67195003
5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
CID 147597000
3-[1-(2-fluorophenyl)propan-2-yl-propan-2-ylamino]propanoic acid
CID 114834684
3-(3,4-difluorophenyl)-2-[2-[methyl(propan-2-yl)amino]propanoylamino]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)propanamide
CID 75964306
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
methyl (2R)-3-(2-fluorophenyl)-2-[hydroxy(phenyl)methoxy]propanoate
CID 144861536

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 168938269) is N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CON(C(=O)c1cnc2[nH]ccc2c1)C(C)Cc1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is AKATWKPKMOEGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12(9-13-5-3-4-6-16(13)19)22(24-2)18(23)15-10-14-7-8-20-17(14)21-11-15/h3-8,10-12H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-N-methoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 168938269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).