(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H26N4O2 — CID 175560388

IUPAC(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2CC3C(C(=O)NC(C)(C)C)[C@@H]3C2)c1
InChIInChI=1S/C17H26N4O2/c1-10(2)21-8-13(18-9-21)16(23)20-6-11-12(7-20)14(11)15(22)19-17(3,4)5/h8-12,14H,6-7H2,1-5H3,(H,19,22)/t11-,12?,14?/m1/s1
InChIKeyRQJBMICURYTJKH-LKSINWNRSA-N
MW318.42 g/mol
LogP1.70
Rot. Bonds3

About (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 175560388) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID175560388
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2CC3C(C(=O)NC(C)(C)C)[C@@H]3C2)c1
InChIInChI=1S/C17H26N4O2/c1-10(2)21-8-13(18-9-21)16(23)20-6-11-12(7-20)14(11)15(22)19-17(3,4)5/h8-12,14H,6-7H2,1-5H3,(H,19,22)/t11-,12?,14?/m1/s1
InChIKeyRQJBMICURYTJKH-LKSINWNRSA-N
XLogP1.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 175560388) is (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)n1cnc(C(=O)N2CC3C(C(=O)NC(C)(C)C)[C@@H]3C2)c1.
What is the InChIKey of (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is RQJBMICURYTJKH-LKSINWNRSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-10(2)21-8-13(18-9-21)16(23)20-6-11-12(7-20)14(11)15(22)19-17(3,4)5/h8-12,14H,6-7H2,1-5H3,(H,19,22)/t11-,12?,14?/m1/s1.
What are the key properties of (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 175560388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).