1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C14H19N3O — CID 114238849

IUPAC1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCc1ccc(CNC2CC(=O)N3CCCC23)cn1
InChIInChI=1S/C14H19N3O/c1-10-4-5-11(8-15-10)9-16-12-7-14(18)17-6-2-3-13(12)17/h4-5,8,12-13,16H,2-3,6-7,9H2,1H3
InChIKeyZVTJCMVEOGRXPF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.24
Rot. Bonds3

About 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 114238849) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID114238849
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCc1ccc(CNC2CC(=O)N3CCCC23)cn1
InChIInChI=1S/C14H19N3O/c1-10-4-5-11(8-15-10)9-16-12-7-14(18)17-6-2-3-13(12)17/h4-5,8,12-13,16H,2-3,6-7,9H2,1H3
InChIKeyZVTJCMVEOGRXPF-UHFFFAOYSA-N
XLogP1.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
Norcotinine
CID 413
(+-)-Cotinine
CID 408
R-(+)-Cotinine
CID 21907
2-(pyridin-4-yl)-1H,4H,5H,6H-pyrrolo[2,3-c]pyrrol-4-one
CID 24771196
Demethylcotinine
CID 92223
4-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 836345
(2Z)-N-[2-(diethylamino)ethyl]-2-(hydroxyimino)-2-(pyridin-2-yl)ethanamide
CID 135455169
2-cyclohexyl-N-(pyridin-2-ylmethyl)acetamide
CID 806688
1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
(S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-3-methyl-N-(2-(pyridin-2-yl)ethyl)butanamide
CID 44418232
Benzeneacetamide, N-(2-pyridinylmethyl)-
CID 823599

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 114238849) is 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is Cc1ccc(CNC2CC(=O)N3CCCC23)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is ZVTJCMVEOGRXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-5-11(8-15-10)9-16-12-7-14(18)17-6-2-3-13(12)17/h4-5,8,12-13,16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 245.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 114238849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).