2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

C21H16N4O2 — CID 71624961

IUPAC2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1
InChIInChI=1S/C21H16N4O2/c26-18(27)13-14-8-10-16(11-9-14)23-21-17-7-4-12-22-20(17)24-19(25-21)15-5-2-1-3-6-15/h1-12H,13H2,(H,26,27)(H,22,23,24,25)
InChIKeyAGEJQGZNRHFFFV-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.06
Rot. Bonds5

About 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid

2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (PubChem CID 71624961) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
PubChem CID71624961
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1
InChIInChI=1S/C21H16N4O2/c26-18(27)13-14-8-10-16(11-9-14)23-21-17-7-4-12-22-20(17)24-19(25-21)15-5-2-1-3-6-15/h1-12H,13H2,(H,26,27)(H,22,23,24,25)
InChIKeyAGEJQGZNRHFFFV-UHFFFAOYSA-N
XLogP4.06
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid (CID 71624961) is 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1.
What is the InChIKey of 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
The InChIKey is AGEJQGZNRHFFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-18(27)13-14-8-10-16(11-9-14)23-21-17-7-4-12-22-20(17)24-19(25-21)15-5-2-1-3-6-15/h1-12H,13H2,(H,26,27)(H,22,23,24,25).
What are the key properties of 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid?
2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid has a molecular weight of 356.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 71624961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).