2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid

C28H28N4O3 — CID 162781520

IUPAC2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid
SMILESCc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(C(C)(C)C(=O)O)c1
InChIInChI=1S/C28H28N4O3/c1-17-12-20(28(4,5)27(33)34)15-21(13-17)32-25-16-22(9-11-30-25)35-24-14-18(2)19(3)31-26(24)23-8-6-7-10-29-23/h6-16H,1-5H3,(H,30,32)(H,33,34)
InChIKeyQREZYVNCXGCHNF-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.36
Rot. Bonds7

About 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid

2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid (PubChem CID 162781520) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid
PubChem CID162781520
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid
SMILESCc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(C(C)(C)C(=O)O)c1
InChIInChI=1S/C28H28N4O3/c1-17-12-20(28(4,5)27(33)34)15-21(13-17)32-25-16-22(9-11-30-25)35-24-14-18(2)19(3)31-26(24)23-8-6-7-10-29-23/h6-16H,1-5H3,(H,30,32)(H,33,34)
InChIKeyQREZYVNCXGCHNF-UHFFFAOYSA-N
XLogP6.36
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
Integrin-IN-2
CID 139593557
4-[1-Hydroxy-1-[5-[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethyl]cyclohexane-1-carboxylic acid
CID 119098900
3-(4-Phenoxyphenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155518125
3-[3-(Morpholin-4-ylmethyl)phenyl]-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155520959
3-(3,5-Dicyclopropylphenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155521171
3-(3-Fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155554134
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381184

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid (CID 162781520) is 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid is Cc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid?
The InChIKey is QREZYVNCXGCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-17-12-20(28(4,5)27(33)34)15-21(13-17)32-25-16-22(9-11-30-25)35-24-14-18(2)19(3)31-26(24)23-8-6-7-10-29-23/h6-16H,1-5H3,(H,30,32)(H,33,34).
What are the key properties of 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid?
2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid has a molecular weight of 468.56 g/mol, XLogP of 6.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-5-methylphenyl]-2-methylpropanoic acid is sourced from PubChem (CID 162781520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).