2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde

C10H15N3O — CID 123310619

IUPAC2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde
SMILESCCCC(N)c1cnc(N)c(C=O)c1
InChIInChI=1S/C10H15N3O/c1-2-3-9(11)7-4-8(6-14)10(12)13-5-7/h4-6,9H,2-3,11H2,1H3,(H2,12,13)
InChIKeyZCPGBEPJXPRGLO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde

2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde (PubChem CID 123310619) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde
PubChem CID123310619
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde
SMILESCCCC(N)c1cnc(N)c(C=O)c1
InChIInChI=1S/C10H15N3O/c1-2-3-9(11)7-4-8(6-14)10(12)13-5-7/h4-6,9H,2-3,11H2,1H3,(H2,12,13)
InChIKeyZCPGBEPJXPRGLO-UHFFFAOYSA-N
XLogP1.28
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.28
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-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde (CID 123310619) is 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde is CCCC(N)c1cnc(N)c(C=O)c1.
What is the InChIKey of 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde?
The InChIKey is ZCPGBEPJXPRGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-9(11)7-4-8(6-14)10(12)13-5-7/h4-6,9H,2-3,11H2,1H3,(H2,12,13).
What are the key properties of 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde?
2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-aminobutyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 123310619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).