cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate

C10H12N4O3 — CID 150110347

IUPACcyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate
SMILESNc1cnccc1NC(=O)OC(=O)NC1CC1
InChIInChI=1S/C10H12N4O3/c11-7-5-12-4-3-8(7)14-10(16)17-9(15)13-6-1-2-6/h3-6H,1-2,11H2,(H,13,15)(H,12,14,16)
InChIKeyDXCLCZPSQROVTG-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.08
Rot. Bonds2

About cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate

cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate (PubChem CID 150110347) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate.

Molecular Properties

Compound Namecyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate
PubChem CID150110347
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Namecyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate
SMILESNc1cnccc1NC(=O)OC(=O)NC1CC1
InChIInChI=1S/C10H12N4O3/c11-7-5-12-4-3-8(7)14-10(16)17-9(15)13-6-1-2-6/h3-6H,1-2,11H2,(H,13,15)(H,12,14,16)
InChIKeyDXCLCZPSQROVTG-UHFFFAOYSA-N
XLogP1.08
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate?
The IUPAC name of cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate (CID 150110347) is cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate.
What is the SMILES notation for cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate?
The canonical SMILES for cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate is Nc1cnccc1NC(=O)OC(=O)NC1CC1.
What is the InChIKey of cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate?
The InChIKey is DXCLCZPSQROVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-7-5-12-4-3-8(7)14-10(16)17-9(15)13-6-1-2-6/h3-6H,1-2,11H2,(H,13,15)(H,12,14,16).
What are the key properties of cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate?
cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate has a molecular weight of 236.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate is sourced from PubChem (CID 150110347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).