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

C11H15N3O — CID 116547431

IUPAC2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone
SMILESNc1cc(CC(=O)C2CCCN2)ccn1
InChIInChI=1S/C11H15N3O/c12-11-7-8(3-5-14-11)6-10(15)9-2-1-4-13-9/h3,5,7,9,13H,1-2,4,6H2,(H2,12,14)
InChIKeyVNKVYGDGLGQONO-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.53
Rot. Bonds3

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

2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone (PubChem CID 116547431) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone
PubChem CID116547431
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone
SMILESNc1cc(CC(=O)C2CCCN2)ccn1
InChIInChI=1S/C11H15N3O/c12-11-7-8(3-5-14-11)6-10(15)9-2-1-4-13-9/h3,5,7,9,13H,1-2,4,6H2,(H2,12,14)
InChIKeyVNKVYGDGLGQONO-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone
CID 116547813
2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 65407228
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-[4-(2-methylpropyl)phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 147204256
2-[4-[2-(4-cyclohexylphenyl)-3-[4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]phenyl]cyclopropyl]phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 162164482
2-(3-chloro-4-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 82088330
2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone
CID 79971866
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone (CID 116547431) is 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone is Nc1cc(CC(=O)C2CCCN2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone?
The InChIKey is VNKVYGDGLGQONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11-7-8(3-5-14-11)6-10(15)9-2-1-4-13-9/h3,5,7,9,13H,1-2,4,6H2,(H2,12,14).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone?
2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116547431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).