N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide

C12H18N2O2 — CID 115997546

IUPACN-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide
SMILESCCN(CCCO)C(=O)Cc1ccncc1
InChIInChI=1S/C12H18N2O2/c1-2-14(8-3-9-15)12(16)10-11-4-6-13-7-5-11/h4-7,15H,2-3,8-10H2,1H3
InChIKeyQNWXYRVSKGPJDF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.86
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide

N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide (PubChem CID 115997546) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide
PubChem CID115997546
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide
SMILESCCN(CCCO)C(=O)Cc1ccncc1
InChIInChI=1S/C12H18N2O2/c1-2-14(8-3-9-15)12(16)10-11-4-6-13-7-5-11/h4-7,15H,2-3,8-10H2,1H3
InChIKeyQNWXYRVSKGPJDF-UHFFFAOYSA-N
XLogP0.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide (CID 115997546) is N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide is CCN(CCCO)C(=O)Cc1ccncc1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide?
The InChIKey is QNWXYRVSKGPJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14(8-3-9-15)12(16)10-11-4-6-13-7-5-11/h4-7,15H,2-3,8-10H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide?
N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 115997546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).