N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide

C15H23FN4O — CID 129323175

IUPACN-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
SMILESCN1CC[C@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C1
InChIInChI=1S/C15H23FN4O/c1-19-7-5-12(10-19)20(2)8-6-15(21)18-14-9-11(17)3-4-13(14)16/h3-4,9,12H,5-8,10,17H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyMOGVBIOSSDMYCC-LBPRGKRZSA-N
MW294.37 g/mol
LogP1.37
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide

N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide (PubChem CID 129323175) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
PubChem CID129323175
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
SMILESCN1CC[C@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C1
InChIInChI=1S/C15H23FN4O/c1-19-7-5-12(10-19)20(2)8-6-15(21)18-14-9-11(17)3-4-13(14)16/h3-4,9,12H,5-8,10,17H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyMOGVBIOSSDMYCC-LBPRGKRZSA-N
XLogP1.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide (CID 129323175) is N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide is CN1CC[C@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide?
The InChIKey is MOGVBIOSSDMYCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19-7-5-12(10-19)20(2)8-6-15(21)18-14-9-11(17)3-4-13(14)16/h3-4,9,12H,5-8,10,17H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide?
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide has a molecular weight of 294.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide is sourced from PubChem (CID 129323175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).