methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate

C23H20N4O3S — CID 169196633

IUPACmethyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate
SMILESCCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3ccc(C(=O)OC)cn3)c2)s1
InChIInChI=1S/C23H20N4O3S/c1-3-20-27-21(15-7-5-4-6-8-15)23(31-20)30-17-11-12-24-19(13-17)26-18-10-9-16(14-25-18)22(28)29-2/h4-14H,3H2,1-2H3,(H,24,25,26)
InChIKeyZGRAFSAMSLVWDM-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.49
Rot. Bonds7

About methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate

methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate (PubChem CID 169196633) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate
PubChem CID169196633
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Namemethyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate
SMILESCCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3ccc(C(=O)OC)cn3)c2)s1
InChIInChI=1S/C23H20N4O3S/c1-3-20-27-21(15-7-5-4-6-8-15)23(31-20)30-17-11-12-24-19(13-17)26-18-10-9-16(14-25-18)22(28)29-2/h4-14H,3H2,1-2H3,(H,24,25,26)
InChIKeyZGRAFSAMSLVWDM-UHFFFAOYSA-N
XLogP5.49
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
CID 169196594
methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 169196678
2-(dimethylamino)ethyl 3-[[6-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-3-carbonyl]amino]-5-fluorobenzoate
CID 169196614
4-[[4-[(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzamide
CID 169196564
4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 169196419
6-[[4-[[2-(dimethylamino)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]-N-methylpyridine-3-carboxamide
CID 169196581
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537
N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
CID 169196487
6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196493
5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
CID 169196519
[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 170167158
N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine
CID 169196524

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate (CID 169196633) is methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate is CCc1nc(-c2ccccc2)c(Oc2ccnc(Nc3ccc(C(=O)OC)cn3)c2)s1.
What is the InChIKey of methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate?
The InChIKey is ZGRAFSAMSLVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-3-20-27-21(15-7-5-4-6-8-15)23(31-20)30-17-11-12-24-19(13-17)26-18-10-9-16(14-25-18)22(28)29-2/h4-14H,3H2,1-2H3,(H,24,25,26).
What are the key properties of methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate?
methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate has a molecular weight of 432.51 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 169196633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).