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

C23H18FN5O4S — CID 137408505

IUPAC2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCn1ccc(-c2csc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n2)cc1=O
InChIInChI=1S/C23H18FN5O4S/c1-29-8-6-14(11-20(29)31)17-12-34-23(27-17)28-19(30)10-13-4-5-18(16(24)9-13)33-22-15(21(25)32)3-2-7-26-22/h2-9,11-12H,10H2,1H3,(H2,25,32)(H,27,28,30)
InChIKeyCPCGVHJAFFXNKL-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.12
Rot. Bonds7

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

2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 137408505) has the molecular formula C23H18FN5O4S and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
PubChem CID137408505
Molecular FormulaC23H18FN5O4S
Molecular Weight479.49 g/mol
Exact Mass479.11
IUPAC Name2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCn1ccc(-c2csc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n2)cc1=O
InChIInChI=1S/C23H18FN5O4S/c1-29-8-6-14(11-20(29)31)17-12-34-23(27-17)28-19(30)10-13-4-5-18(16(24)9-13)33-22-15(21(25)32)3-2-7-26-22/h2-9,11-12H,10H2,1H3,(H2,25,32)(H,27,28,30)
InChIKeyCPCGVHJAFFXNKL-UHFFFAOYSA-N
XLogP3.12
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (CID 137408505) is 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is Cn1ccc(-c2csc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n2)cc1=O.
What is the InChIKey of 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is CPCGVHJAFFXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O4S/c1-29-8-6-14(11-20(29)31)17-12-34-23(27-17)28-19(30)10-13-4-5-18(16(24)9-13)33-22-15(21(25)32)3-2-7-26-22/h2-9,11-12H,10H2,1H3,(H2,25,32)(H,27,28,30).
What are the key properties of 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137408505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).