2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide

C24H20FN5O3S — CID 137408458

IUPAC2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)sc2C)n1
InChIInChI=1S/C24H20FN5O3S/c1-13-5-3-7-18(28-13)21-14(2)34-24(30-21)29-20(31)12-15-8-9-19(17(25)11-15)33-23-16(22(26)32)6-4-10-27-23/h3-11H,12H2,1-2H3,(H2,26,32)(H,29,30,31)
InChIKeyUOYGVFICGHVSJN-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.43
Rot. Bonds7

About 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 137408458) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
PubChem CID137408458
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC Name2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)sc2C)n1
InChIInChI=1S/C24H20FN5O3S/c1-13-5-3-7-18(28-13)21-14(2)34-24(30-21)29-20(31)12-15-8-9-19(17(25)11-15)33-23-16(22(26)32)6-4-10-27-23/h3-11H,12H2,1-2H3,(H2,26,32)(H,29,30,31)
InChIKeyUOYGVFICGHVSJN-UHFFFAOYSA-N
XLogP4.43
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (CID 137408458) is 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is Cc1cccc(-c2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)sc2C)n1.
What is the InChIKey of 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is UOYGVFICGHVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c1-13-5-3-7-18(28-13)21-14(2)34-24(30-21)29-20(31)12-15-8-9-19(17(25)11-15)33-23-16(22(26)32)6-4-10-27-23/h3-11H,12H2,1-2H3,(H2,26,32)(H,29,30,31).
What are the key properties of 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[[5-methyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137408458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).