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

C16H15N5O2 — CID 135368299

IUPAC4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid
SMILESO=C(O)CCCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H15N5O2/c22-14(23)2-1-6-19-16-12-5-9-18-10-13(12)20-15(21-16)11-3-7-17-8-4-11/h3-5,7-10H,1-2,6H2,(H,22,23)(H,19,20,21)
InChIKeyVYRJRYCLYLJOLN-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.36
Rot. Bonds6

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

4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid (PubChem CID 135368299) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid
PubChem CID135368299
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid
SMILESO=C(O)CCCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H15N5O2/c22-14(23)2-1-6-19-16-12-5-9-18-10-13(12)20-15(21-16)11-3-7-17-8-4-11/h3-5,7-10H,1-2,6H2,(H,22,23)(H,19,20,21)
InChIKeyVYRJRYCLYLJOLN-UHFFFAOYSA-N
XLogP2.36
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid (CID 135368299) is 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid is O=C(O)CCCNc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is VYRJRYCLYLJOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-14(23)2-1-6-19-16-12-5-9-18-10-13(12)20-15(21-16)11-3-7-17-8-4-11/h3-5,7-10H,1-2,6H2,(H,22,23)(H,19,20,21).
What are the key properties of 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid?
4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 135368299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).