N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide

C13H20N2O2 — CID 57190195

IUPACN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
SMILESCCCCc1ccc(CNC(=O)CC)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-3-5-6-11-8-7-10(13(17)15-11)9-14-12(16)4-2/h7-8H,3-6,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLGBBEDXAFFLZLC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds6

About N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide

N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide (PubChem CID 57190195) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
PubChem CID57190195
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
SMILESCCCCc1ccc(CNC(=O)CC)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-3-5-6-11-8-7-10(13(17)15-11)9-14-12(16)4-2/h7-8H,3-6,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLGBBEDXAFFLZLC-UHFFFAOYSA-N
XLogP1.74
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
The IUPAC name of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide (CID 57190195) is N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide is CCCCc1ccc(CNC(=O)CC)c(=O)[nH]1.
What is the InChIKey of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
The InChIKey is LGBBEDXAFFLZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-6-11-8-7-10(13(17)15-11)9-14-12(16)4-2/h7-8H,3-6,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide?
N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 57190195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).