6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide

C15H18N2O — CID 123626341

IUPAC6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide
SMILESCCC1CN=C(Cc2ccccc2)C=C1C(N)=O
InChIInChI=1S/C15H18N2O/c1-2-12-10-17-13(9-14(12)15(16)18)8-11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3,(H2,16,18)
InChIKeyUWKOPTUPDCUUSE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.12
Rot. Bonds4

About 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide

6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide (PubChem CID 123626341) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide
PubChem CID123626341
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide
SMILESCCC1CN=C(Cc2ccccc2)C=C1C(N)=O
InChIInChI=1S/C15H18N2O/c1-2-12-10-17-13(9-14(12)15(16)18)8-11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3,(H2,16,18)
InChIKeyUWKOPTUPDCUUSE-UHFFFAOYSA-N
XLogP2.12
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide?
The IUPAC name of 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide (CID 123626341) is 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide is CCC1CN=C(Cc2ccccc2)C=C1C(N)=O.
What is the InChIKey of 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide?
The InChIKey is UWKOPTUPDCUUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-12-10-17-13(9-14(12)15(16)18)8-11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3,(H2,16,18).
What are the key properties of 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide?
6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-ethyl-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 123626341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).