N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C12H18N2O2 — CID 110855743

IUPACN-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-14(3)12(16)10-8-13-9(2)7-11(10)15/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyMIUWDZIURZIQHO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds4

About N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 110855743) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID110855743
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-14(3)12(16)10-8-13-9(2)7-11(10)15/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyMIUWDZIURZIQHO-UHFFFAOYSA-N
XLogP1.56
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 110855743) is N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is CCCCN(C)C(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MIUWDZIURZIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-5-6-14(3)12(16)10-8-13-9(2)7-11(10)15/h7-8H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110855743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).