2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

C12H19N3O2 — CID 59300403

IUPAC2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OCCN2CCCC2)c[nH]1
InChIInChI=1S/C12H19N3O2/c13-8-10-7-11(16)12(9-14-10)17-6-5-15-3-1-2-4-15/h7,9H,1-6,8,13H2,(H,14,16)
InChIKeyBLCAQLNVBKTLHF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.31
Rot. Bonds5

About 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (PubChem CID 59300403) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
PubChem CID59300403
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OCCN2CCCC2)c[nH]1
InChIInChI=1S/C12H19N3O2/c13-8-10-7-11(16)12(9-14-10)17-6-5-15-3-1-2-4-15/h7,9H,1-6,8,13H2,(H,14,16)
InChIKeyBLCAQLNVBKTLHF-UHFFFAOYSA-N
XLogP0.31
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (CID 59300403) is 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is NCc1cc(=O)c(OCCN2CCCC2)c[nH]1.
What is the InChIKey of 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The InChIKey is BLCAQLNVBKTLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-10-7-11(16)12(9-14-10)17-6-5-15-3-1-2-4-15/h7,9H,1-6,8,13H2,(H,14,16).
What are the key properties of 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 59300403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).