1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine

C12H19N3O — CID 103539385

IUPAC1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCC(OC)C2)c1
InChIInChI=1S/C12H19N3O/c1-13-8-10-3-5-14-12(7-10)15-6-4-11(9-15)16-2/h3,5,7,11,13H,4,6,8-9H2,1-2H3
InChIKeyASVCNTQHFWDIIJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds4

About 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 103539385) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID103539385
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCC(OC)C2)c1
InChIInChI=1S/C12H19N3O/c1-13-8-10-3-5-14-12(7-10)15-6-4-11(9-15)16-2/h3,5,7,11,13H,4,6,8-9H2,1-2H3
InChIKeyASVCNTQHFWDIIJ-UHFFFAOYSA-N
XLogP1.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539400
1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 103535803
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 113336197
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-[2-(3-ethyl-4-methylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55217767
N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
CID 62293701
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103539475
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
4-(3-methoxypyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 103541733
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 62286079
N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 103539385) is 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CCC(OC)C2)c1.
What is the InChIKey of 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is ASVCNTQHFWDIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-8-10-3-5-14-12(7-10)15-6-4-11(9-15)16-2/h3,5,7,11,13H,4,6,8-9H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 103539385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).