N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine

C21H24FN3 — CID 142680937

IUPACN-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine
SMILESC=CCCN(CCc1ccc(F)cc1)n1c(C)c(C)c2ccncc21
InChIInChI=1S/C21H24FN3/c1-4-5-13-24(14-11-18-6-8-19(22)9-7-18)25-17(3)16(2)20-10-12-23-15-21(20)25/h4,6-10,12,15H,1,5,11,13-14H2,2-3H3
InChIKeySGXFZOWHJXXYMZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.55
Rot. Bonds7

About N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine

N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine (PubChem CID 142680937) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine
PubChem CID142680937
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC NameN-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine
SMILESC=CCCN(CCc1ccc(F)cc1)n1c(C)c(C)c2ccncc21
InChIInChI=1S/C21H24FN3/c1-4-5-13-24(14-11-18-6-8-19(22)9-7-18)25-17(3)16(2)20-10-12-23-15-21(20)25/h4,6-10,12,15H,1,5,11,13-14H2,2-3H3
InChIKeySGXFZOWHJXXYMZ-UHFFFAOYSA-N
XLogP4.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 9814925

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
The IUPAC name of N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine (CID 142680937) is N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine.
What is the SMILES notation for N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
The canonical SMILES for N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine is C=CCCN(CCc1ccc(F)cc1)n1c(C)c(C)c2ccncc21.
What is the InChIKey of N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
The InChIKey is SGXFZOWHJXXYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-4-5-13-24(14-11-18-6-8-19(22)9-7-18)25-17(3)16(2)20-10-12-23-15-21(20)25/h4,6-10,12,15H,1,5,11,13-14H2,2-3H3.
What are the key properties of N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine has a molecular weight of 337.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-[2-(4-fluorophenyl)ethyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine is sourced from PubChem (CID 142680937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).