2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate

C26H32F3N7O4S — CID 67057213

IUPAC2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OCCN(C)C)cnc2OCCN(C)C)cn1
InChIInChI=1S/C26H32F3N7O4S/c1-6-30-25(38)34-21-12-18(23-33-20(15-41-23)26(27,28)29)19(14-31-21)17-11-16(24(37)40-10-8-36(4)5)13-32-22(17)39-9-7-35(2)3/h11-15H,6-10H2,1-5H3,(H2,30,31,34,38)
InChIKeyKMHNXUGKWABNOO-UHFFFAOYSA-N
MW595.65 g/mol
LogP4.09
Rot. Bonds12

About 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate

2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate (PubChem CID 67057213) has the molecular formula C26H32F3N7O4S and a molecular weight of 595.65 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
PubChem CID67057213
Molecular FormulaC26H32F3N7O4S
Molecular Weight595.65 g/mol
Exact Mass595.22
IUPAC Name2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OCCN(C)C)cnc2OCCN(C)C)cn1
InChIInChI=1S/C26H32F3N7O4S/c1-6-30-25(38)34-21-12-18(23-33-20(15-41-23)26(27,28)29)19(14-31-21)17-11-16(24(37)40-10-8-36(4)5)13-32-22(17)39-9-7-35(2)3/h11-15H,6-10H2,1-5H3,(H2,30,31,34,38)
InChIKeyKMHNXUGKWABNOO-UHFFFAOYSA-N
XLogP4.09
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.65
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate (CID 67057213) is 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OCCN(C)C)cnc2OCCN(C)C)cn1.
What is the InChIKey of 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate?
The InChIKey is KMHNXUGKWABNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N7O4S/c1-6-30-25(38)34-21-12-18(23-33-20(15-41-23)26(27,28)29)19(14-31-21)17-11-16(24(37)40-10-8-36(4)5)13-32-22(17)39-9-7-35(2)3/h11-15H,6-10H2,1-5H3,(H2,30,31,34,38).
What are the key properties of 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate?
2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate has a molecular weight of 595.65 g/mol, XLogP of 4.09, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 6-[2-(dimethylamino)ethoxy]-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate is sourced from PubChem (CID 67057213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).