2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine

C16H26N4O — CID 80637179

IUPAC2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H26N4O/c1-13-10-14(2-4-17)11-18-16(13)20-5-3-15(12-20)19-6-8-21-9-7-19/h10-11,15H,2-9,12,17H2,1H3
InChIKeyBKMJVJCHOFTIQQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.80
Rot. Bonds4

About 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine

2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80637179) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
PubChem CID80637179
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H26N4O/c1-13-10-14(2-4-17)11-18-16(13)20-5-3-15(12-20)19-6-8-21-9-7-19/h10-11,15H,2-9,12,17H2,1H3
InChIKeyBKMJVJCHOFTIQQ-UHFFFAOYSA-N
XLogP0.80
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634396
2-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634126
2-[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80635001
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 102544856
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 63168667
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
2-[5-methyl-6-(4-propylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80633427
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80636109
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-1,4-oxazepane
CID 107082975
2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80634216

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine (CID 80637179) is 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is BKMJVJCHOFTIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-10-14(2-4-17)11-18-16(13)20-5-3-15(12-20)19-6-8-21-9-7-19/h10-11,15H,2-9,12,17H2,1H3.
What are the key properties of 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80637179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).