6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid

C18H19N5O2 — CID 135368574

IUPAC6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H19N5O2/c24-16(25)4-2-1-3-8-21-18-14-7-11-20-12-15(14)22-17(23-18)13-5-9-19-10-6-13/h5-7,9-12H,1-4,8H2,(H,24,25)(H,21,22,23)
InChIKeyUFPPDXUZJOVUNZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.14
Rot. Bonds8

About 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid

6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 135368574) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid
PubChem CID135368574
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H19N5O2/c24-16(25)4-2-1-3-8-21-18-14-7-11-20-12-15(14)22-17(23-18)13-5-9-19-10-6-13/h5-7,9-12H,1-4,8H2,(H,24,25)(H,21,22,23)
InChIKeyUFPPDXUZJOVUNZ-UHFFFAOYSA-N
XLogP3.14
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid 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 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid (CID 135368574) is 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid is O=C(O)CCCCCNc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is UFPPDXUZJOVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16(25)4-2-1-3-8-21-18-14-7-11-20-12-15(14)22-17(23-18)13-5-9-19-10-6-13/h5-7,9-12H,1-4,8H2,(H,24,25)(H,21,22,23).
What are the key properties of 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid?
6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 135368574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).