[3-(3-aminopropyl)-2-pyridinyl] acetate

C10H14N2O2 — CID 174988941

IUPAC[3-(3-aminopropyl)-2-pyridinyl] acetate
SMILESCC(=O)Oc1ncccc1CCCN
InChIInChI=1S/C10H14N2O2/c1-8(13)14-10-9(4-2-6-11)5-3-7-12-10/h3,5,7H,2,4,6,11H2,1H3
InChIKeyKHRDTNXIGMNSOX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.90
Rot. Bonds4

About [3-(3-aminopropyl)-2-pyridinyl] acetate

[3-(3-aminopropyl)-2-pyridinyl] acetate (PubChem CID 174988941) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is [3-(3-aminopropyl)-2-pyridinyl] acetate.

Molecular Properties

Compound Name[3-(3-aminopropyl)-2-pyridinyl] acetate
PubChem CID174988941
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name[3-(3-aminopropyl)-2-pyridinyl] acetate
SMILESCC(=O)Oc1ncccc1CCCN
InChIInChI=1S/C10H14N2O2/c1-8(13)14-10-9(4-2-6-11)5-3-7-12-10/h3,5,7H,2,4,6,11H2,1H3
InChIKeyKHRDTNXIGMNSOX-UHFFFAOYSA-N
XLogP0.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-3-pyridinyl)propan-1-amine
CID 55266989
(3-fluoro-2-pyridinyl) acetate
CID 15091012
[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate
CID 12847830
[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate
CID 90424699
(3-chloro-4-ethyl-2-pyridinyl) acetate
CID 66916950
[3-(4-cyclohexylbutyl)-2-pyridinyl] hydrogen carbonate
CID 90425040
ethyl 2-(3-aminopropyl)pyridine-3-carboxylate
CID 70281941
1-(2-ethoxy-3-pyridinyl)propan-2-one
CID 83875082
2-[2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 114057582
bis[3-[(4-propylphenyl)methyl]-2-pyridinyl] carbonate
CID 90425314
O-[2-(2-methoxy-3-pyridinyl)ethyl]hydroxylamine
CID 70307544
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminopropyl)-2-pyridinyl] acetate?
The IUPAC name of [3-(3-aminopropyl)-2-pyridinyl] acetate (CID 174988941) is [3-(3-aminopropyl)-2-pyridinyl] acetate.
What is the SMILES notation for [3-(3-aminopropyl)-2-pyridinyl] acetate?
The canonical SMILES for [3-(3-aminopropyl)-2-pyridinyl] acetate is CC(=O)Oc1ncccc1CCCN.
What is the InChIKey of [3-(3-aminopropyl)-2-pyridinyl] acetate?
The InChIKey is KHRDTNXIGMNSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(13)14-10-9(4-2-6-11)5-3-7-12-10/h3,5,7H,2,4,6,11H2,1H3.
What are the key properties of [3-(3-aminopropyl)-2-pyridinyl] acetate?
[3-(3-aminopropyl)-2-pyridinyl] acetate has a molecular weight of 194.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminopropyl)-2-pyridinyl] acetate is sourced from PubChem (CID 174988941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).