1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide

C16H21N3O2 — CID 53016583

IUPAC1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCCNC(=O)N1CC=C(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-3-17-16(21)19-10-8-13(9-11-19)15(20)18-14-6-4-12(2)5-7-14/h4-8H,3,9-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBRUFZSOHAGGKSA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.30
Rot. Bonds3

About 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide

1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (PubChem CID 53016583) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
PubChem CID53016583
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCCNC(=O)N1CC=C(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-3-17-16(21)19-10-8-13(9-11-19)15(20)18-14-6-4-12(2)5-7-14/h4-8H,3,9-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBRUFZSOHAGGKSA-UHFFFAOYSA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The IUPAC name of 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (CID 53016583) is 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The canonical SMILES for 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is CCNC(=O)N1CC=C(C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The InChIKey is BRUFZSOHAGGKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-17-16(21)19-10-8-13(9-11-19)15(20)18-14-6-4-12(2)5-7-14/h4-8H,3,9-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is sourced from PubChem (CID 53016583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).