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

C12H21N3O2 — CID 53015780

IUPAC1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCNC(=O)C1=CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)14-11(17)15-7-5-9(6-8-15)10(16)13-4/h5H,6-8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyBUXJUKONYIGVNM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.87
Rot. Bonds1

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

1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (PubChem CID 53015780) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
PubChem CID53015780
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCNC(=O)C1=CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)14-11(17)15-7-5-9(6-8-15)10(16)13-4/h5H,6-8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyBUXJUKONYIGVNM-UHFFFAOYSA-N
XLogP0.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

4-N-ethyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
CID 53015770
N~1~,N~4~-diisopropyl-3,6-dihydro-1,4(2H)-pyridinedicarboxamide
CID 53015771
N4-Cyclopentyl-N1-(propan-2-YL)-1,2,3,6-tetrahydropyridine-1,4-dicarboxamide
CID 53015773
4-N-cyclopropyl-1-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
CID 53015777
N~1~-(tert-butyl)-N~4~-ethyl-3,6-dihydro-1,4(2H)-pyridinedicarboxamide
CID 53015778
N~1~-(tert-butyl)-N~4~-isopropyl-3,6-dihydro-1,4(2H)-pyridinedicarboxamide
CID 53015779
1-N,4-N-ditert-butyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
CID 53015781
1-N-tert-butyl-4-N-(cyanomethyl)-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
CID 53015782
N-Tert-butyl-4-(pyrrolidine-1-carbonyl)-1,2,3,6-tetrahydropyridine-1-carboxamide
CID 53015783
N1-Cyclopentyl-N4-(propan-2-YL)-1,2,3,6-tetrahydropyridine-1,4-dicarboxamide
CID 53015787
N~1~-cyclopentyl-N~4~-methyl-3,6-dihydro-1,4(2H)-pyridinedicarboxamide
CID 53015788
N-cyclopentyl-N,N-dimethyl-3,6-dihydro-1,4(2H)-pyridinedicarboxamide
CID 53015789

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (CID 53015780) is 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is CNC(=O)C1=CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The InChIKey is BUXJUKONYIGVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)14-11(17)15-7-5-9(6-8-15)10(16)13-4/h5H,6-8H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is sourced from PubChem (CID 53015780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).