5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

C18H15F3N6O2S — CID 59208340

IUPAC5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(C(N)=O)c2)cn1
InChIInChI=1S/C18H15F3N6O2S/c1-2-24-17(29)27-14-4-11(16-26-13(8-30-16)18(19,20)21)12(7-25-14)9-3-10(15(22)28)6-23-5-9/h3-8H,2H2,1H3,(H2,22,28)(H2,24,25,27,29)
InChIKeyYDRGYAKNMSAVKT-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.53
Rot. Bonds5

About 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide

5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 59208340) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID59208340
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC Name5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(C(N)=O)c2)cn1
InChIInChI=1S/C18H15F3N6O2S/c1-2-24-17(29)27-14-4-11(16-26-13(8-30-16)18(19,20)21)12(7-25-14)9-3-10(15(22)28)6-23-5-9/h3-8H,2H2,1H3,(H2,22,28)(H2,24,25,27,29)
InChIKeyYDRGYAKNMSAVKT-UHFFFAOYSA-N
XLogP3.53
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 59208340) is 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(C(N)=O)c2)cn1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YDRGYAKNMSAVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c1-2-24-17(29)27-14-4-11(16-26-13(8-30-16)18(19,20)21)12(7-25-14)9-3-10(15(22)28)6-23-5-9/h3-8H,2H2,1H3,(H2,22,28)(H2,24,25,27,29).
What are the key properties of 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide?
5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 59208340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).