N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C11H15ClN2O2 — CID 47293478

IUPACN-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-3-4-5-14(2)11(16)8-6-9(12)10(15)13-7-8/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyNLFIQNSXEOBKJG-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.90
Rot. Bonds4

About N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47293478) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47293478
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-3-4-5-14(2)11(16)8-6-9(12)10(15)13-7-8/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyNLFIQNSXEOBKJG-UHFFFAOYSA-N
XLogP1.90
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 47293478) is N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide is CCCCN(C)C(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NLFIQNSXEOBKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-4-5-14(2)11(16)8-6-9(12)10(15)13-7-8/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47293478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).