5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one

C11H17N3O — CID 165482076

IUPAC5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
SMILESCN1CCCC1Cn1cc(N)ccc1=O
InChIInChI=1S/C11H17N3O/c1-13-6-2-3-10(13)8-14-7-9(12)4-5-11(14)15/h4-5,7,10H,2-3,6,8,12H2,1H3
InChIKeyVJUHIHRLLNVZME-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.52
Rot. Bonds2

About 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one

5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one (PubChem CID 165482076) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
PubChem CID165482076
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
SMILESCN1CCCC1Cn1cc(N)ccc1=O
InChIInChI=1S/C11H17N3O/c1-13-6-2-3-10(13)8-14-7-9(12)4-5-11(14)15/h4-5,7,10H,2-3,6,8,12H2,1H3
InChIKeyVJUHIHRLLNVZME-UHFFFAOYSA-N
XLogP0.52
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]pyridin-2-one
CID 79304227
5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
CID 63623496
5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 106019319
5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one
CID 63603465
5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
CID 65283618
5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one
CID 63604666
5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one
CID 62988257
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one
CID 113335564
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512427
5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one
CID 114236554
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62815141
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one (CID 165482076) is 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one is CN1CCCC1Cn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one?
The InChIKey is VJUHIHRLLNVZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-2-3-10(13)8-14-7-9(12)4-5-11(14)15/h4-5,7,10H,2-3,6,8,12H2,1H3.
What are the key properties of 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one?
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 165482076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).