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

C7H9N3O2 — CID 11768935

IUPACmethyl N-(3-amino-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccncc1N
InChIInChI=1S/C7H9N3O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,8H2,1H3,(H,9,10,11)
InChIKeyWADZRHBGMFVDKY-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.84
Rot. Bonds1

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

methyl N-(3-amino-4-pyridinyl)carbamate (PubChem CID 11768935) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl N-(3-amino-4-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-amino-4-pyridinyl)carbamate
PubChem CID11768935
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl N-(3-amino-4-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccncc1N
InChIInChI=1S/C7H9N3O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,8H2,1H3,(H,9,10,11)
InChIKeyWADZRHBGMFVDKY-UHFFFAOYSA-N
XLogP0.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-(3-amino-4-pyridinyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-amino-4-pyridinyl)carbamate?
The IUPAC name of methyl N-(3-amino-4-pyridinyl)carbamate (CID 11768935) is methyl N-(3-amino-4-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(3-amino-4-pyridinyl)carbamate?
The canonical SMILES for methyl N-(3-amino-4-pyridinyl)carbamate is COC(=O)Nc1ccncc1N.
What is the InChIKey of methyl N-(3-amino-4-pyridinyl)carbamate?
The InChIKey is WADZRHBGMFVDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,8H2,1H3,(H,9,10,11).
What are the key properties of methyl N-(3-amino-4-pyridinyl)carbamate?
methyl N-(3-amino-4-pyridinyl)carbamate has a molecular weight of 167.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-amino-4-pyridinyl)carbamate is sourced from PubChem (CID 11768935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).