1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide

C14H22N4O2 — CID 53015782

IUPAC1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCN(CC#N)C(=O)C1=CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)16-13(20)18-8-5-11(6-9-18)12(19)17(4)10-7-15/h5H,6,8-10H2,1-4H3,(H,16,20)
InChIKeyIGJCLZBDUWVNEQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.11
Rot. Bonds2

About 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide

1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (PubChem CID 53015782) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
PubChem CID53015782
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCN(CC#N)C(=O)C1=CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)16-13(20)18-8-5-11(6-9-18)12(19)17(4)10-7-15/h5H,6,8-10H2,1-4H3,(H,16,20)
InChIKeyIGJCLZBDUWVNEQ-UHFFFAOYSA-N
XLogP1.11
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (CID 53015782) is 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is CN(CC#N)C(=O)C1=CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The InChIKey is IGJCLZBDUWVNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)16-13(20)18-8-5-11(6-9-18)12(19)17(4)10-7-15/h5H,6,8-10H2,1-4H3,(H,16,20).
What are the key properties of 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is sourced from PubChem (CID 53015782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).