3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide

C15H20N4O — CID 170962780

IUPAC3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide
SMILESCC1CC2CC2N1.O=CNCc1cc2cnccc2[nH]1
InChIInChI=1S/C9H9N3O.C6H11N/c13-6-11-5-8-3-7-4-10-2-1-9(7)12-8;1-4-2-5-3-6(5)7-4/h1-4,6,12H,5H2,(H,11,13);4-7H,2-3H2,1H3
InChIKeyZGDASWMVQOOWGB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide

3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide (PubChem CID 170962780) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide.

Molecular Properties

Compound Name3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide
PubChem CID170962780
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide
SMILESCC1CC2CC2N1.O=CNCc1cc2cnccc2[nH]1
InChIInChI=1S/C9H9N3O.C6H11N/c13-6-11-5-8-3-7-4-10-2-1-9(7)12-8;1-4-2-5-3-6(5)7-4/h1-4,6,12H,5H2,(H,11,13);4-7H,2-3H2,1H3
InChIKeyZGDASWMVQOOWGB-UHFFFAOYSA-N
XLogP1.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide?
The IUPAC name of 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide (CID 170962780) is 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide.
What is the SMILES notation for 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide?
The canonical SMILES for 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide is CC1CC2CC2N1.O=CNCc1cc2cnccc2[nH]1.
What is the InChIKey of 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide?
The InChIKey is ZGDASWMVQOOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C6H11N/c13-6-11-5-8-3-7-4-10-2-1-9(7)12-8;1-4-2-5-3-6(5)7-4/h1-4,6,12H,5H2,(H,11,13);4-7H,2-3H2,1H3.
What are the key properties of 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide?
3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide has a molecular weight of 272.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-azabicyclo[3.1.0]hexane;N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)formamide is sourced from PubChem (CID 170962780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).