N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C15H25N3O2 — CID 53015783

IUPACN-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC=C(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)16-14(20)18-10-6-12(7-11-18)13(19)17-8-4-5-9-17/h6H,4-5,7-11H2,1-3H3,(H,16,20)
InChIKeyOALMFIBCRBJFCW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.75
Rot. Bonds1

About N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 53015783) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID53015783
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC=C(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)16-14(20)18-10-6-12(7-11-18)13(19)17-8-4-5-9-17/h6H,4-5,7-11H2,1-3H3,(H,16,20)
InChIKeyOALMFIBCRBJFCW-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
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
N-(tert-butyl)-N-methyl-3,6-dihydro-1,4(2H)-pyridinedicarboxamide
CID 53015780
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
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 N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 53015783) is N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)NC(=O)N1CC=C(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OALMFIBCRBJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)16-14(20)18-10-6-12(7-11-18)13(19)17-8-4-5-9-17/h6H,4-5,7-11H2,1-3H3,(H,16,20).
What are the key properties of N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 53015783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).