3-(5-amino-2-pyridinyl)propylcarbamic acid

C9H13N3O2 — CID 150650176

IUPAC3-(5-amino-2-pyridinyl)propylcarbamic acid
SMILESNc1ccc(CCCNC(=O)O)nc1
InChIInChI=1S/C9H13N3O2/c10-7-3-4-8(12-6-7)2-1-5-11-9(13)14/h3-4,6,11H,1-2,5,10H2,(H,13,14)
InChIKeyJBRZHKIYCJOPBY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.86
Rot. Bonds4

About 3-(5-amino-2-pyridinyl)propylcarbamic acid

3-(5-amino-2-pyridinyl)propylcarbamic acid (PubChem CID 150650176) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(5-amino-2-pyridinyl)propylcarbamic acid.

Molecular Properties

Compound Name3-(5-amino-2-pyridinyl)propylcarbamic acid
PubChem CID150650176
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(5-amino-2-pyridinyl)propylcarbamic acid
SMILESNc1ccc(CCCNC(=O)O)nc1
InChIInChI=1S/C9H13N3O2/c10-7-3-4-8(12-6-7)2-1-5-11-9(13)14/h3-4,6,11H,1-2,5,10H2,(H,13,14)
InChIKeyJBRZHKIYCJOPBY-UHFFFAOYSA-N
XLogP0.86
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-pyridinyl)propylcarbamic acid?
The IUPAC name of 3-(5-amino-2-pyridinyl)propylcarbamic acid (CID 150650176) is 3-(5-amino-2-pyridinyl)propylcarbamic acid.
What is the SMILES notation for 3-(5-amino-2-pyridinyl)propylcarbamic acid?
The canonical SMILES for 3-(5-amino-2-pyridinyl)propylcarbamic acid is Nc1ccc(CCCNC(=O)O)nc1.
What is the InChIKey of 3-(5-amino-2-pyridinyl)propylcarbamic acid?
The InChIKey is JBRZHKIYCJOPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7-3-4-8(12-6-7)2-1-5-11-9(13)14/h3-4,6,11H,1-2,5,10H2,(H,13,14).
What are the key properties of 3-(5-amino-2-pyridinyl)propylcarbamic acid?
3-(5-amino-2-pyridinyl)propylcarbamic acid has a molecular weight of 195.22 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-pyridinyl)propylcarbamic acid is sourced from PubChem (CID 150650176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).