2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid

C22H20N2O7 — CID 13180457

IUPAC2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCOc1ccc(-c2ccc(C(=O)NC(C(=O)O)c3ccc(O)cc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C22H20N2O7/c1-30-17-10-5-13(11-18(17)31-2)16-9-8-15(20(26)23-16)21(27)24-19(22(28)29)12-3-6-14(25)7-4-12/h3-11,19,25H,1-2H3,(H,23,26)(H,24,27)(H,28,29)
InChIKeyQGPVRIITWIHRKZ-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.32
Rot. Bonds7

About 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid

2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 13180457) has the molecular formula C22H20N2O7 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
PubChem CID13180457
Molecular FormulaC22H20N2O7
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
SMILESCOc1ccc(-c2ccc(C(=O)NC(C(=O)O)c3ccc(O)cc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C22H20N2O7/c1-30-17-10-5-13(11-18(17)31-2)16-9-8-15(20(26)23-16)21(27)24-19(22(28)29)12-3-6-14(25)7-4-12/h3-11,19,25H,1-2H3,(H,23,26)(H,24,27)(H,28,29)
InChIKeyQGPVRIITWIHRKZ-UHFFFAOYSA-N
XLogP2.32
TPSA137.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid with MolForge

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Related Compounds

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CID 55331
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((Z)-2-Acetylamino-3-benzo[1,3]dioxol-5-yl-acryloylamino)-phenyl-acetic acid
CID 5914340
Methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(4-hydroxyphenyl)propanoate
CID 16331625
Benzyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2855847
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3238905
3-(3,4-Dimethoxyphenyl)-3-[(phenoxyacetyl)amino]propanoic acid
CID 3239444
3-(4-Ethoxy-3-methoxyphenyl)-3-[(phenoxyacetyl)amino]propanoic acid
CID 3380102
3-[(Diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 3381820
phenyl{[(2Z)-3-(3,4,5-trimethoxyphenyl)-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}acetic acid
CID 5348700
{[(2E)-3-(4-fluorophenyl)-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}(phenyl)acetic acid
CID 6355592

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid (CID 13180457) is 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid is COc1ccc(-c2ccc(C(=O)NC(C(=O)O)c3ccc(O)cc3)c(=O)[nH]2)cc1OC.
What is the InChIKey of 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is QGPVRIITWIHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O7/c1-30-17-10-5-13(11-18(17)31-2)16-9-8-15(20(26)23-16)21(27)24-19(22(28)29)12-3-6-14(25)7-4-12/h3-11,19,25H,1-2H3,(H,23,26)(H,24,27)(H,28,29).
What are the key properties of 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid?
2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 424.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 13180457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).