2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide

C21H19FN4O3S — CID 142516277

IUPAC2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1C1CC1
InChIInChI=1S/C21H19FN4O3S/c1-11-18(13-5-6-13)26-21(30-11)25-17(27)10-12-4-7-16(15(22)9-12)29-20-14(19(23)28)3-2-8-24-20/h2-4,7-9,13H,5-6,10H2,1H3,(H2,23,28)(H,25,26,27)
InChIKeyJFRARMADNIYDLR-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.94
Rot. Bonds7

About 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide

2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide (PubChem CID 142516277) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
PubChem CID142516277
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1C1CC1
InChIInChI=1S/C21H19FN4O3S/c1-11-18(13-5-6-13)26-21(30-11)25-17(27)10-12-4-7-16(15(22)9-12)29-20-14(19(23)28)3-2-8-24-20/h2-4,7-9,13H,5-6,10H2,1H3,(H2,23,28)(H,25,26,27)
InChIKeyJFRARMADNIYDLR-UHFFFAOYSA-N
XLogP3.94
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide (CID 142516277) is 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide is Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1C1CC1.
What is the InChIKey of 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
The InChIKey is JFRARMADNIYDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-11-18(13-5-6-13)26-21(30-11)25-17(27)10-12-4-7-16(15(22)9-12)29-20-14(19(23)28)3-2-8-24-20/h2-4,7-9,13H,5-6,10H2,1H3,(H2,23,28)(H,25,26,27).
What are the key properties of 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide?
2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 142516277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).