N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide

C15H20FN3O — CID 127769677

IUPACN-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESCN1CCC2CCN(C(=O)Nc3cccc(F)c3)C2C1
InChIInChI=1S/C15H20FN3O/c1-18-7-5-11-6-8-19(14(11)10-18)15(20)17-13-4-2-3-12(16)9-13/h2-4,9,11,14H,5-8,10H2,1H3,(H,17,20)
InChIKeyCRZLZEPOHXQZEF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.38
Rot. Bonds1

About N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide

N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide (PubChem CID 127769677) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
PubChem CID127769677
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESCN1CCC2CCN(C(=O)Nc3cccc(F)c3)C2C1
InChIInChI=1S/C15H20FN3O/c1-18-7-5-11-6-8-19(14(11)10-18)15(20)17-13-4-2-3-12(16)9-13/h2-4,9,11,14H,5-8,10H2,1H3,(H,17,20)
InChIKeyCRZLZEPOHXQZEF-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
N-[3-(3-fluorophenyl)phenyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 156607909
N-(3-fluorophenyl)-4-(2-methoxyethyl)-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxamide
CID 131654456
(3aS,7aS)-N-[3-[(1R)-1-methoxyethyl]phenyl]-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxamide
CID 97261303
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79539437
(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 70764353
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide
CID 97221670

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide (CID 127769677) is N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide is CN1CCC2CCN(C(=O)Nc3cccc(F)c3)C2C1.
What is the InChIKey of N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The InChIKey is CRZLZEPOHXQZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-18-7-5-11-6-8-19(14(11)10-18)15(20)17-13-4-2-3-12(16)9-13/h2-4,9,11,14H,5-8,10H2,1H3,(H,17,20).
What are the key properties of N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide is sourced from PubChem (CID 127769677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).