2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide

C21H16FN5OS — CID 122551141

IUPAC2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cnsc1-c1ccccc1)c1ccnc(Nc2ccc(CF)cn2)c1
InChIInChI=1S/C21H16FN5OS/c22-11-14-6-7-18(24-12-14)27-19-10-16(8-9-23-19)21(28)26-17-13-25-29-20(17)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H,26,28)(H,23,24,27)
InChIKeyVIOFNYOUIAJMMT-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.07
Rot. Bonds6

About 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide

2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide (PubChem CID 122551141) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide
PubChem CID122551141
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC Name2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cnsc1-c1ccccc1)c1ccnc(Nc2ccc(CF)cn2)c1
InChIInChI=1S/C21H16FN5OS/c22-11-14-6-7-18(24-12-14)27-19-10-16(8-9-23-19)21(28)26-17-13-25-29-20(17)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H,26,28)(H,23,24,27)
InChIKeyVIOFNYOUIAJMMT-UHFFFAOYSA-N
XLogP5.07
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118064134
2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118065427
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide (CID 122551141) is 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide is O=C(Nc1cnsc1-c1ccccc1)c1ccnc(Nc2ccc(CF)cn2)c1.
What is the InChIKey of 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide?
The InChIKey is VIOFNYOUIAJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c22-11-14-6-7-18(24-12-14)27-19-10-16(8-9-23-19)21(28)26-17-13-25-29-20(17)15-4-2-1-3-5-15/h1-10,12-13H,11H2,(H,26,28)(H,23,24,27).
What are the key properties of 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide?
2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(fluoromethyl)-2-pyridinyl]amino]-N-(5-phenyl-1,2-thiazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122551141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).