N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C18H23N5O2 — CID 167524479

IUPACN-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)N(C)C2(C#N)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-11(2)23-8-14(20-10-23)16(24)22-6-12-13(7-22)15(12)17(25)21(3)18(9-19)4-5-18/h8,10-13,15H,4-7H2,1-3H3
InChIKeyMMCRJAJVHRPWET-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.30
Rot. Bonds4

About N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 167524479) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID167524479
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)N(C)C2(C#N)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-11(2)23-8-14(20-10-23)16(24)22-6-12-13(7-22)15(12)17(25)21(3)18(9-19)4-5-18/h8,10-13,15H,4-7H2,1-3H3
InChIKeyMMCRJAJVHRPWET-UHFFFAOYSA-N
XLogP1.30
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

US11691968, Example 75
CID 167524474
US11691968, Example 59
CID 167524481
US11691968, Example 66
CID 167524496
US11691968, Example 65
CID 167524507
US11691968, Example 87
CID 167524517
US11691968, Example 60
CID 167524545
US20230271952, Example 59
CID 168678773
US20230271952, Example 60
CID 168678774
US20230271952, Example 65
CID 168678777
US20230271952, Example 66
CID 168678778
US20230271952, Example 69
CID 168678779
US20230271952, Example 75
CID 168678780

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 167524479) is N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)N(C)C2(C#N)CC2)c1.
What is the InChIKey of N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is MMCRJAJVHRPWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11(2)23-8-14(20-10-23)16(24)22-6-12-13(7-22)15(12)17(25)21(3)18(9-19)4-5-18/h8,10-13,15H,4-7H2,1-3H3.
What are the key properties of N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 167524479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).