4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide

C12H21N3O2 — CID 53015770

IUPAC4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCCNC(=O)C1=CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H21N3O2/c1-4-13-11(16)10-5-7-15(8-6-10)12(17)14-9(2)3/h5,9H,4,6-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeySIBJVNJROCYYGS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.87
Rot. Bonds3

About 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide

4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (PubChem CID 53015770) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
PubChem CID53015770
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCCNC(=O)C1=CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H21N3O2/c1-4-13-11(16)10-5-7-15(8-6-10)12(17)14-9(2)3/h5,9H,4,6-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeySIBJVNJROCYYGS-UHFFFAOYSA-N
XLogP0.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (CID 53015770) is 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is CCNC(=O)C1=CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The InChIKey is SIBJVNJROCYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-13-11(16)10-5-7-15(8-6-10)12(17)14-9(2)3/h5,9H,4,6-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is sourced from PubChem (CID 53015770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).