2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide

C15H20N4O2 — CID 170635353

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
SMILESCc1ncc(NC(=O)CN2CC3CCC2C3)cc1NC=O
InChIInChI=1S/C15H20N4O2/c1-10-14(17-9-20)5-12(6-16-10)18-15(21)8-19-7-11-2-3-13(19)4-11/h5-6,9,11,13H,2-4,7-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyDASRLPABOTWYRG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.38
Rot. Bonds5

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide (PubChem CID 170635353) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
PubChem CID170635353
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
SMILESCc1ncc(NC(=O)CN2CC3CCC2C3)cc1NC=O
InChIInChI=1S/C15H20N4O2/c1-10-14(17-9-20)5-12(6-16-10)18-15(21)8-19-7-11-2-3-13(19)4-11/h5-6,9,11,13H,2-4,7-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyDASRLPABOTWYRG-UHFFFAOYSA-N
XLogP1.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide (CID 170635353) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide is Cc1ncc(NC(=O)CN2CC3CCC2C3)cc1NC=O.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
The InChIKey is DASRLPABOTWYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-14(17-9-20)5-12(6-16-10)18-15(21)8-19-7-11-2-3-13(19)4-11/h5-6,9,11,13H,2-4,7-8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 170635353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).