2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid

C18H16N2O4 — CID 168942129

IUPAC2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid
SMILESCc1ccccc1-c1cc(=O)oc2nc(N(C)CC(=O)O)ccc12
InChIInChI=1S/C18H16N2O4/c1-11-5-3-4-6-12(11)14-9-17(23)24-18-13(14)7-8-15(19-18)20(2)10-16(21)22/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyXNYAMGDLCYTXSC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.68
Rot. Bonds4

About 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid

2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid (PubChem CID 168942129) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid
PubChem CID168942129
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid
SMILESCc1ccccc1-c1cc(=O)oc2nc(N(C)CC(=O)O)ccc12
InChIInChI=1S/C18H16N2O4/c1-11-5-3-4-6-12(11)14-9-17(23)24-18-13(14)7-8-15(19-18)20(2)10-16(21)22/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyXNYAMGDLCYTXSC-UHFFFAOYSA-N
XLogP2.68
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid (CID 168942129) is 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid is Cc1ccccc1-c1cc(=O)oc2nc(N(C)CC(=O)O)ccc12.
What is the InChIKey of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid?
The InChIKey is XNYAMGDLCYTXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-5-3-4-6-12(11)14-9-17(23)24-18-13(14)7-8-15(19-18)20(2)10-16(21)22/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid?
2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid has a molecular weight of 324.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]amino]acetic acid is sourced from PubChem (CID 168942129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).