N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide

C13H20N2O3 — CID 43573588

IUPACN-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H20N2O3/c1-11(2)15(9-10-16)13(18)6-8-14-7-4-3-5-12(14)17/h3-5,7,11,16H,6,8-10H2,1-2H3
InChIKeyJFJRHMFYPRPIQN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.47
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide

N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide (PubChem CID 43573588) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
PubChem CID43573588
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H20N2O3/c1-11(2)15(9-10-16)13(18)6-8-14-7-4-3-5-12(14)17/h3-5,7,11,16H,6,8-10H2,1-2H3
InChIKeyJFJRHMFYPRPIQN-UHFFFAOYSA-N
XLogP0.47
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide (CID 43573588) is N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide is CC(C)N(CCO)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
The InChIKey is JFJRHMFYPRPIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(2)15(9-10-16)13(18)6-8-14-7-4-3-5-12(14)17/h3-5,7,11,16H,6,8-10H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide?
N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43573588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).