N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide

C18H21FN4O2 — CID 126807162

IUPACN-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide
SMILESNc1ccc(F)c(NC(=O)CCN2CCC(Oc3cccnc3)C2)c1
InChIInChI=1S/C18H21FN4O2/c19-16-4-3-13(20)10-17(16)22-18(24)6-9-23-8-5-15(12-23)25-14-2-1-7-21-11-14/h1-4,7,10-11,15H,5-6,8-9,12,20H2,(H,22,24)
InChIKeyMATVPSYYUNIPRR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.28
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide (PubChem CID 126807162) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide
PubChem CID126807162
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide
SMILESNc1ccc(F)c(NC(=O)CCN2CCC(Oc3cccnc3)C2)c1
InChIInChI=1S/C18H21FN4O2/c19-16-4-3-13(20)10-17(16)22-18(24)6-9-23-8-5-15(12-23)25-14-2-1-7-21-11-14/h1-4,7,10-11,15H,5-6,8-9,12,20H2,(H,22,24)
InChIKeyMATVPSYYUNIPRR-UHFFFAOYSA-N
XLogP2.28
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
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N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide (CID 126807162) is N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide is Nc1ccc(F)c(NC(=O)CCN2CCC(Oc3cccnc3)C2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide?
The InChIKey is MATVPSYYUNIPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-16-4-3-13(20)10-17(16)22-18(24)6-9-23-8-5-15(12-23)25-14-2-1-7-21-11-14/h1-4,7,10-11,15H,5-6,8-9,12,20H2,(H,22,24).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide has a molecular weight of 344.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 126807162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).