N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide

C9H14N2O — CID 146229409

IUPACN-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide
SMILESCCNC(=O)C1=NC(C)CC=C1
InChIInChI=1S/C9H14N2O/c1-3-10-9(12)8-6-4-5-7(2)11-8/h4,6-7H,3,5H2,1-2H3,(H,10,12)
InChIKeyBIJJLFORCVOIJX-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.91
Rot. Bonds2

About N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide

N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide (PubChem CID 146229409) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide
PubChem CID146229409
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide
SMILESCCNC(=O)C1=NC(C)CC=C1
InChIInChI=1S/C9H14N2O/c1-3-10-9(12)8-6-4-5-7(2)11-8/h4,6-7H,3,5H2,1-2H3,(H,10,12)
InChIKeyBIJJLFORCVOIJX-UHFFFAOYSA-N
XLogP0.91
TPSA41.46 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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide?
The IUPAC name of N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide (CID 146229409) is N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide is CCNC(=O)C1=NC(C)CC=C1.
What is the InChIKey of N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide?
The InChIKey is BIJJLFORCVOIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-10-9(12)8-6-4-5-7(2)11-8/h4,6-7H,3,5H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide?
N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide is sourced from PubChem (CID 146229409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).