[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone

C13H19N3O — CID 114802166

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCC(CCN)C2)c1
InChIInChI=1S/C13H19N3O/c1-10-6-12(8-15-7-10)13(17)16-5-3-11(9-16)2-4-14/h6-8,11H,2-5,9,14H2,1H3
InChIKeyZSQIKPRWNVSXBE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.20
Rot. Bonds3

About [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 114802166) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID114802166
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCC(CCN)C2)c1
InChIInChI=1S/C13H19N3O/c1-10-6-12(8-15-7-10)13(17)16-5-3-11(9-16)2-4-14/h6-8,11H,2-5,9,14H2,1H3
InChIKeyZSQIKPRWNVSXBE-UHFFFAOYSA-N
XLogP1.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706427
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 114802115
N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 127738758
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
[5-(3-aminoprop-1-ynyl)-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799401
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone (CID 114802166) is [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CCC(CCN)C2)c1.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is ZSQIKPRWNVSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-12(8-15-7-10)13(17)16-5-3-11(9-16)2-4-14/h6-8,11H,2-5,9,14H2,1H3.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114802166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).