1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one

C15H22N2O3 — CID 103172885

IUPAC1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
SMILESCOc1ccnc(CN2CCCC2CC(C)=O)c1OC
InChIInChI=1S/C15H22N2O3/c1-11(18)9-12-5-4-8-17(12)10-13-15(20-3)14(19-2)6-7-16-13/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyKOARSMOGCZPWRP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds6

About 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one

1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 103172885) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
PubChem CID103172885
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
SMILESCOc1ccnc(CN2CCCC2CC(C)=O)c1OC
InChIInChI=1S/C15H22N2O3/c1-11(18)9-12-5-4-8-17(12)10-13-15(20-3)14(19-2)6-7-16-13/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyKOARSMOGCZPWRP-UHFFFAOYSA-N
XLogP2.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174004
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 103173140
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103173538
2-methoxy-4-[[2-(2-oxopropyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 106789234
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 103173279
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
1-[1-[(3,4-dimethylphenyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79546159

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one (CID 103172885) is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one is COc1ccnc(CN2CCCC2CC(C)=O)c1OC.
What is the InChIKey of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is KOARSMOGCZPWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)9-12-5-4-8-17(12)10-13-15(20-3)14(19-2)6-7-16-13/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 278.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 103172885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).