2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid

C22H19F2N3O4 — CID 110165732

IUPAC2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(Nc2ncccc2C(=O)N(CC(=O)O)Cc2cccc(F)c2F)cc1
InChIInChI=1S/C22H19F2N3O4/c1-31-16-9-7-15(8-10-16)26-21-17(5-3-11-25-21)22(30)27(13-19(28)29)12-14-4-2-6-18(23)20(14)24/h2-11H,12-13H2,1H3,(H,25,26)(H,28,29)
InChIKeyFWQVNKWZDSIUDR-UHFFFAOYSA-N
MW427.41 g/mol
LogP3.84
Rot. Bonds8

About 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid

2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 110165732) has the molecular formula C22H19F2N3O4 and a molecular weight of 427.41 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid
PubChem CID110165732
Molecular FormulaC22H19F2N3O4
Molecular Weight427.41 g/mol
Exact Mass427.13
IUPAC Name2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(Nc2ncccc2C(=O)N(CC(=O)O)Cc2cccc(F)c2F)cc1
InChIInChI=1S/C22H19F2N3O4/c1-31-16-9-7-15(8-10-16)26-21-17(5-3-11-25-21)22(30)27(13-19(28)29)12-14-4-2-6-18(23)20(14)24/h2-11H,12-13H2,1H3,(H,25,26)(H,28,29)
InChIKeyFWQVNKWZDSIUDR-UHFFFAOYSA-N
XLogP3.84
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid
CID 110165495
3-[[2-(4-methoxyanilino)pyridine-3-carbonyl]-(2-phenylethyl)amino]propanoic acid
CID 110077157
2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
CID 47142435
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 44759391
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
2-[(2,3-difluorophenyl)methyl-(1-propan-2-ylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165737
[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone
CID 122221600
methyl 2-(3-fluoro-5-methoxyanilino)pyridine-3-carboxylate;methyl 2-fluoropyridine-3-carboxylate
CID 162265180
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid (CID 110165732) is 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid is COc1ccc(Nc2ncccc2C(=O)N(CC(=O)O)Cc2cccc(F)c2F)cc1.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is FWQVNKWZDSIUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O4/c1-31-16-9-7-15(8-10-16)26-21-17(5-3-11-25-21)22(30)27(13-19(28)29)12-14-4-2-6-18(23)20(14)24/h2-11H,12-13H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid?
2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 427.41 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl-[2-(4-methoxyanilino)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 110165732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).