2-ethyl-2,3-dihydropyridine-5-carboxamide

C8H12N2O — CID 170057475

IUPAC2-ethyl-2,3-dihydropyridine-5-carboxamide
SMILESCCC1CC=C(C(N)=O)C=N1
InChIInChI=1S/C8H12N2O/c1-2-7-4-3-6(5-10-7)8(9)11/h3,5,7H,2,4H2,1H3,(H2,9,11)
InChIKeyPCSJQNMUFKTMIJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.65
Rot. Bonds2

About 2-ethyl-2,3-dihydropyridine-5-carboxamide

2-ethyl-2,3-dihydropyridine-5-carboxamide (PubChem CID 170057475) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-2,3-dihydropyridine-5-carboxamide
PubChem CID170057475
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethyl-2,3-dihydropyridine-5-carboxamide
SMILESCCC1CC=C(C(N)=O)C=N1
InChIInChI=1S/C8H12N2O/c1-2-7-4-3-6(5-10-7)8(9)11/h3,5,7H,2,4H2,1H3,(H2,9,11)
InChIKeyPCSJQNMUFKTMIJ-UHFFFAOYSA-N
XLogP0.65
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydropyridine-5-carboxamide?
The IUPAC name of 2-ethyl-2,3-dihydropyridine-5-carboxamide (CID 170057475) is 2-ethyl-2,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for 2-ethyl-2,3-dihydropyridine-5-carboxamide?
The canonical SMILES for 2-ethyl-2,3-dihydropyridine-5-carboxamide is CCC1CC=C(C(N)=O)C=N1.
What is the InChIKey of 2-ethyl-2,3-dihydropyridine-5-carboxamide?
The InChIKey is PCSJQNMUFKTMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7-4-3-6(5-10-7)8(9)11/h3,5,7H,2,4H2,1H3,(H2,9,11).
What are the key properties of 2-ethyl-2,3-dihydropyridine-5-carboxamide?
2-ethyl-2,3-dihydropyridine-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 170057475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).