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

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

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Related Compounds

9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 535721
2H-Pyrano(2,3-b)pyridin-2-one, 4-methyl-7-(4-morpholinyl)-
CID 93904
US20250066377, Example 44
CID 168942055
US20250066377, Example 17
CID 168942069
US20250066377, Example 18
CID 168942156
US20250066377, Example 54
CID 168942174
US20250066377, Example 55
CID 168942189
US20250066377, Example 53
CID 169715757
7-Dimethylamino-4-methyl-8-azacoumarin
CID 12414433
2-Oxo-6,9-dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-2H-pyrano [2,3-b][1,8]naphthyridine
CID 12378164
6,9-dimethyl-8-phenyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 12378167
7-(2-Phenylethylamino)-4-(trifluoromethyl)pyrano[2,3-b]pyridin-2-one
CID 20342583

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).