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

C13H21N3O2 — CID 53015777

IUPAC4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CC=C(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H21N3O2/c1-9(2)14-13(18)16-7-5-10(6-8-16)12(17)15-11-3-4-11/h5,9,11H,3-4,6-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyRDOMDWNPZBNTRZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds3

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

4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (PubChem CID 53015777) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
PubChem CID53015777
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CC=C(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H21N3O2/c1-9(2)14-13(18)16-7-5-10(6-8-16)12(17)15-11-3-4-11/h5,9,11H,3-4,6-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyRDOMDWNPZBNTRZ-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (CID 53015777) is 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is CC(C)NC(=O)N1CC=C(C(=O)NC2CC2)CC1.
What is the InChIKey of 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The InChIKey is RDOMDWNPZBNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)14-13(18)16-7-5-10(6-8-16)12(17)15-11-3-4-11/h5,9,11H,3-4,6-8H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is sourced from PubChem (CID 53015777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).