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

C15H17FN6O2S — CID 67508561

IUPAC6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(Nc2nc(NCC(=O)C3CC3N)c(F)cc2C(N)=O)sn1
InChIInChI=1S/C15H17FN6O2S/c1-6-2-12(25-22-6)20-14-8(13(18)24)3-9(16)15(21-14)19-5-11(23)7-4-10(7)17/h2-3,7,10H,4-5,17H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyPXOXSGFMNJFXJS-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.16
Rot. Bonds7

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

6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide (PubChem CID 67508561) has the molecular formula C15H17FN6O2S and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide
PubChem CID67508561
Molecular FormulaC15H17FN6O2S
Molecular Weight364.41 g/mol
Exact Mass364.11
IUPAC Name6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(Nc2nc(NCC(=O)C3CC3N)c(F)cc2C(N)=O)sn1
InChIInChI=1S/C15H17FN6O2S/c1-6-2-12(25-22-6)20-14-8(13(18)24)3-9(16)15(21-14)19-5-11(23)7-4-10(7)17/h2-3,7,10H,4-5,17H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyPXOXSGFMNJFXJS-UHFFFAOYSA-N
XLogP1.16
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide (CID 67508561) is 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide is Cc1cc(Nc2nc(NCC(=O)C3CC3N)c(F)cc2C(N)=O)sn1.
What is the InChIKey of 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide?
The InChIKey is PXOXSGFMNJFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O2S/c1-6-2-12(25-22-6)20-14-8(13(18)24)3-9(16)15(21-14)19-5-11(23)7-4-10(7)17/h2-3,7,10H,4-5,17H2,1H3,(H2,18,24)(H2,19,20,21).
What are the key properties of 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide?
6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67508561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).