N-ethyl-1-methyl-4H-pyridine-3-carboxamide

C9H14N2O — CID 14417314

IUPACN-ethyl-1-methyl-4H-pyridine-3-carboxamide
SMILESCCNC(=O)C1=CN(C)C=CC1
InChIInChI=1S/C9H14N2O/c1-3-10-9(12)8-5-4-6-11(2)7-8/h4,6-7H,3,5H2,1-2H3,(H,10,12)
InChIKeyXNQWAAUUXJAAKG-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.86
Rot. Bonds2

About N-ethyl-1-methyl-4H-pyridine-3-carboxamide

N-ethyl-1-methyl-4H-pyridine-3-carboxamide (PubChem CID 14417314) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-ethyl-1-methyl-4H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-4H-pyridine-3-carboxamide
PubChem CID14417314
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-ethyl-1-methyl-4H-pyridine-3-carboxamide
SMILESCCNC(=O)C1=CN(C)C=CC1
InChIInChI=1S/C9H14N2O/c1-3-10-9(12)8-5-4-6-11(2)7-8/h4,6-7H,3,5H2,1-2H3,(H,10,12)
InChIKeyXNQWAAUUXJAAKG-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-4H-pyridine-3-carboxamide (CID 14417314) is N-ethyl-1-methyl-4H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-4H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-4H-pyridine-3-carboxamide is CCNC(=O)C1=CN(C)C=CC1.
What is the InChIKey of N-ethyl-1-methyl-4H-pyridine-3-carboxamide?
The InChIKey is XNQWAAUUXJAAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-10-9(12)8-5-4-6-11(2)7-8/h4,6-7H,3,5H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-1-methyl-4H-pyridine-3-carboxamide?
N-ethyl-1-methyl-4H-pyridine-3-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-4H-pyridine-3-carboxamide is sourced from PubChem (CID 14417314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).