[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

C12H19N3O — CID 62994364

IUPAC[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCOc1cc(CN2CCC(CN)C2)ccn1
InChIInChI=1S/C12H19N3O/c1-16-12-6-10(2-4-14-12)8-15-5-3-11(7-13)9-15/h2,4,6,11H,3,5,7-9,13H2,1H3
InChIKeyBEYHRUUKFVNHKQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.87
Rot. Bonds4

About [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62994364) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62994364
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCOc1cc(CN2CCC(CN)C2)ccn1
InChIInChI=1S/C12H19N3O/c1-16-12-6-10(2-4-14-12)8-15-5-3-11(7-13)9-15/h2,4,6,11H,3,5,7-9,13H2,1H3
InChIKeyBEYHRUUKFVNHKQ-UHFFFAOYSA-N
XLogP0.87
TPSA51.38 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55142104
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 62993484
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 163309012
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106062053
[(3S)-1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 97164834
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
[1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 71642940
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (CID 62994364) is [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is COc1cc(CN2CCC(CN)C2)ccn1.
What is the InChIKey of [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is BEYHRUUKFVNHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12-6-10(2-4-14-12)8-15-5-3-11(7-13)9-15/h2,4,6,11H,3,5,7-9,13H2,1H3.
What are the key properties of [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62994364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).