5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide

C21H32N4O — CID 176748312

IUPAC5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CC4CC4(C(C)(C)C)C3)CC2)cn1
InChIInChI=1S/C21H32N4O/c1-20(2,3)21-11-15(21)13-25(14-21)16-7-9-24(10-8-16)17-5-6-18(23-12-17)19(26)22-4/h5-6,12,15-16H,7-11,13-14H2,1-4H3,(H,22,26)
InChIKeyFLRPGPXBDAHVSK-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.78
Rot. Bonds3

About 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176748312) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176748312
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CC4CC4(C(C)(C)C)C3)CC2)cn1
InChIInChI=1S/C21H32N4O/c1-20(2,3)21-11-15(21)13-25(14-21)16-7-9-24(10-8-16)17-5-6-18(23-12-17)19(26)22-4/h5-6,12,15-16H,7-11,13-14H2,1-4H3,(H,22,26)
InChIKeyFLRPGPXBDAHVSK-UHFFFAOYSA-N
XLogP2.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-(4-tert-butyl-2-azabicyclo[2.2.1]heptan-2-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748288
N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 169148857
N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964726
N-methyl-5-[4-[3-[6-oxo-5-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148771
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 176748242
N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964817
N-methyl-5-[4-[3-(4-oxo-3H-pyrimido[4,5-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148652

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 176748312) is 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CC4CC4(C(C)(C)C)C3)CC2)cn1.
What is the InChIKey of 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FLRPGPXBDAHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-20(2,3)21-11-15(21)13-25(14-21)16-7-9-24(10-8-16)17-5-6-18(23-12-17)19(26)22-4/h5-6,12,15-16H,7-11,13-14H2,1-4H3,(H,22,26).
What are the key properties of 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176748312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).