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

C13H20N2O2 — CID 19012337

IUPACN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide
SMILESCCCCc1ccc(CN(C)C(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-4-5-6-12-8-7-11(13(17)14-12)9-15(3)10(2)16/h7-8H,4-6,9H2,1-3H3,(H,14,17)
InChIKeyNWWPGYFMHCHWBM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.70
Rot. Bonds5

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

N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide (PubChem CID 19012337) 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]-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide
PubChem CID19012337
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide
SMILESCCCCc1ccc(CN(C)C(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-4-5-6-12-8-7-11(13(17)14-12)9-15(3)10(2)16/h7-8H,4-6,9H2,1-3H3,(H,14,17)
InChIKeyNWWPGYFMHCHWBM-UHFFFAOYSA-N
XLogP1.70
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
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]-N-methylacetamide?
The IUPAC name of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide (CID 19012337) is N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide is CCCCc1ccc(CN(C)C(C)=O)c(=O)[nH]1.
What is the InChIKey of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide?
The InChIKey is NWWPGYFMHCHWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-6-12-8-7-11(13(17)14-12)9-15(3)10(2)16/h7-8H,4-6,9H2,1-3H3,(H,14,17).
What are the key properties of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide?
N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 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]-N-methylacetamide is sourced from PubChem (CID 19012337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).