3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid

C26H22N4O4 — CID 22268447

IUPAC3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid
SMILESO=C(O)CC(Oc1ccccc1NC(=O)c1cccc(Nc2ccccn2)c1)c1cccnc1
InChIInChI=1S/C26H22N4O4/c31-25(32)16-23(19-8-6-13-27-17-19)34-22-11-2-1-10-21(22)30-26(33)18-7-5-9-20(15-18)29-24-12-3-4-14-28-24/h1-15,17,23H,16H2,(H,28,29)(H,30,33)(H,31,32)
InChIKeyCMCAYGFVZRBGSM-UHFFFAOYSA-N
MW454.49 g/mol
LogP5.07
Rot. Bonds9

About 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid

3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid (PubChem CID 22268447) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid
PubChem CID22268447
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid
SMILESO=C(O)CC(Oc1ccccc1NC(=O)c1cccc(Nc2ccccn2)c1)c1cccnc1
InChIInChI=1S/C26H22N4O4/c31-25(32)16-23(19-8-6-13-27-17-19)34-22-11-2-1-10-21(22)30-26(33)18-7-5-9-20(15-18)29-24-12-3-4-14-28-24/h1-15,17,23H,16H2,(H,28,29)(H,30,33)(H,31,32)
InChIKeyCMCAYGFVZRBGSM-UHFFFAOYSA-N
XLogP5.07
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenyl]sulfinylpropanoic acid
CID 22268668
3-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]phenoxy]-3-pyridin-3-ylpropanoic acid
CID 22268569
3-[2-[[3-(benzylcarbamoylamino)benzoyl]amino]phenoxy]-3-phenylpropanoic acid
CID 22268648
3-[2-[[3-(1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid
CID 10298192
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
CID 60617071
3-pyridin-3-yl-3-[3-[[4-(1,2,3,4-tetrahydropyridin-6-ylamino)benzoyl]amino]phenoxy]propanoic acid
CID 137351317
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
3-[3-[[3-(2,3-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenoxy]-3-phenylpropanoic acid
CID 143869408
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
3-[2-[[3-[(N'-benzylcarbamimidoyl)amino]benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid
CID 10279857
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid?
The IUPAC name of 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid (CID 22268447) is 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid.
What is the SMILES notation for 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid?
The canonical SMILES for 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid is O=C(O)CC(Oc1ccccc1NC(=O)c1cccc(Nc2ccccn2)c1)c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid?
The InChIKey is CMCAYGFVZRBGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c31-25(32)16-23(19-8-6-13-27-17-19)34-22-11-2-1-10-21(22)30-26(33)18-7-5-9-20(15-18)29-24-12-3-4-14-28-24/h1-15,17,23H,16H2,(H,28,29)(H,30,33)(H,31,32).
What are the key properties of 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid?
3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid has a molecular weight of 454.49 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-3-[2-[[3-(pyridin-2-ylamino)benzoyl]amino]phenoxy]propanoic acid is sourced from PubChem (CID 22268447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).