2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone

C11H15N3O — CID 116568289

IUPAC2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
SMILESNc1ccncc1CC(=O)C1CCNC1
InChIInChI=1S/C11H15N3O/c12-10-2-4-14-7-9(10)5-11(15)8-1-3-13-6-8/h2,4,7-8,13H,1,3,5-6H2,(H2,12,14)
InChIKeyNAOSFQQKNBHVOB-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.38
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone

2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone (PubChem CID 116568289) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
PubChem CID116568289
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
SMILESNc1ccncc1CC(=O)C1CCNC1
InChIInChI=1S/C11H15N3O/c12-10-2-4-14-7-9(10)5-11(15)8-1-3-13-6-8/h2,4,7-8,13H,1,3,5-6H2,(H2,12,14)
InChIKeyNAOSFQQKNBHVOB-UHFFFAOYSA-N
XLogP0.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
CID 64981791
(4-amino-3-pyridinyl)-piperidin-4-ylmethanone
CID 116547555
2-(4-amino-3-pyridinyl)-1-(7-azabicyclo[2.2.1]heptan-2-yl)ethanone
CID 116575964
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
CID 116548022
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
CID 22248581
3-amino-1-(4-amino-3-pyridinyl)-3-cyclopropylbutan-2-one
CID 116558468
2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
CID 102865083
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone (CID 116568289) is 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone is Nc1ccncc1CC(=O)C1CCNC1.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone?
The InChIKey is NAOSFQQKNBHVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-10-2-4-14-7-9(10)5-11(15)8-1-3-13-6-8/h2,4,7-8,13H,1,3,5-6H2,(H2,12,14).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone?
2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116568289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).