N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide

C11H15FN4O — CID 90369694

IUPACN-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide
SMILESNc1ccc(NC(=O)CN2CC[C@H](F)C2)nc1
InChIInChI=1S/C11H15FN4O/c12-8-3-4-16(6-8)7-11(17)15-10-2-1-9(13)5-14-10/h1-2,5,8H,3-4,6-7,13H2,(H,14,15,17)/t8-/m0/s1
InChIKeyRKAUBIKLVVCOAB-QMMMGPOBSA-N
MW238.27 g/mol
LogP0.65
Rot. Bonds3

About N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide

N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide (PubChem CID 90369694) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide
PubChem CID90369694
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC NameN-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide
SMILESNc1ccc(NC(=O)CN2CC[C@H](F)C2)nc1
InChIInChI=1S/C11H15FN4O/c12-8-3-4-16(6-8)7-11(17)15-10-2-1-9(13)5-14-10/h1-2,5,8H,3-4,6-7,13H2,(H,14,15,17)/t8-/m0/s1
InChIKeyRKAUBIKLVVCOAB-QMMMGPOBSA-N
XLogP0.65
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide (CID 90369694) is N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide is Nc1ccc(NC(=O)CN2CC[C@H](F)C2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide?
The InChIKey is RKAUBIKLVVCOAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-8-3-4-16(6-8)7-11(17)15-10-2-1-9(13)5-14-10/h1-2,5,8H,3-4,6-7,13H2,(H,14,15,17)/t8-/m0/s1.
What are the key properties of N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide?
N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide has a molecular weight of 238.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide is sourced from PubChem (CID 90369694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).