2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid

C19H21N3O6 — CID 120518078

IUPAC2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
SMILESCNC(=O)c1ccc(C(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)cn1
InChIInChI=1S/C19H21N3O6/c1-20-18(25)16-5-4-13(9-21-16)19(26)22(11-17(23)24)10-12-6-14(27-2)8-15(7-12)28-3/h4-9H,10-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyXYFMOMMROGXFQX-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.19
Rot. Bonds8

About 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 120518078) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
PubChem CID120518078
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
SMILESCNC(=O)c1ccc(C(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)cn1
InChIInChI=1S/C19H21N3O6/c1-20-18(25)16-5-4-13(9-21-16)19(26)22(11-17(23)24)10-12-6-14(27-2)8-15(7-12)28-3/h4-9H,10-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyXYFMOMMROGXFQX-UHFFFAOYSA-N
XLogP1.19
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[[6-[(4-fluorophenyl)methyl]pyridine-3-carbonyl]-[(3-methoxyphenyl)methyl]amino]acetic acid
CID 110165635
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[(5-chlorothiophene-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197465
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706
2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
CID 120518082
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
CID 120976580
2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
CID 119197735
2-[(3,5-dimethoxyphenyl)methyl-[3-(1,3-thiazol-2-yl)propanoyl]amino]acetic acid
CID 119197724
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid (CID 120518078) is 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid is CNC(=O)c1ccc(C(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)cn1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is XYFMOMMROGXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-20-18(25)16-5-4-13(9-21-16)19(26)22(11-17(23)24)10-12-6-14(27-2)8-15(7-12)28-3/h4-9H,10-11H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 387.39 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 120518078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).