3-(2,5-diamino-3-pyridinyl)propylcarbamic acid

C9H14N4O2 — CID 175221323

IUPAC3-(2,5-diamino-3-pyridinyl)propylcarbamic acid
SMILESNc1cnc(N)c(CCCNC(=O)O)c1
InChIInChI=1S/C9H14N4O2/c10-7-4-6(8(11)13-5-7)2-1-3-12-9(14)15/h4-5,12H,1-3,10H2,(H2,11,13)(H,14,15)
InChIKeyUIHMNSBEYWJZIS-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.45
Rot. Bonds4

About 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid

3-(2,5-diamino-3-pyridinyl)propylcarbamic acid (PubChem CID 175221323) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid.

Molecular Properties

Compound Name3-(2,5-diamino-3-pyridinyl)propylcarbamic acid
PubChem CID175221323
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(2,5-diamino-3-pyridinyl)propylcarbamic acid
SMILESNc1cnc(N)c(CCCNC(=O)O)c1
InChIInChI=1S/C9H14N4O2/c10-7-4-6(8(11)13-5-7)2-1-3-12-9(14)15/h4-5,12H,1-3,10H2,(H2,11,13)(H,14,15)
InChIKeyUIHMNSBEYWJZIS-UHFFFAOYSA-N
XLogP0.45
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(2,5-diamino-3-pyridinyl)propylcarbamic acid?
The IUPAC name of 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid (CID 175221323) is 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid.
What is the SMILES notation for 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid?
The canonical SMILES for 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid is Nc1cnc(N)c(CCCNC(=O)O)c1.
What is the InChIKey of 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid?
The InChIKey is UIHMNSBEYWJZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7-4-6(8(11)13-5-7)2-1-3-12-9(14)15/h4-5,12H,1-3,10H2,(H2,11,13)(H,14,15).
What are the key properties of 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid?
3-(2,5-diamino-3-pyridinyl)propylcarbamic acid has a molecular weight of 210.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diamino-3-pyridinyl)propylcarbamic acid is sourced from PubChem (CID 175221323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).