N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C20H14FN5O2S — CID 176859635

IUPACN-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cn2)cs1)c1ccc(=O)n(Cc2ccccn2)c1
InChIInChI=1S/C20H14FN5O2S/c21-14-5-6-16(23-9-14)17-12-29-20(24-17)25-19(28)13-4-7-18(27)26(10-13)11-15-3-1-2-8-22-15/h1-10,12H,11H2,(H,24,25,28)
InChIKeyUFWUIRCXAMCOEW-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.20
Rot. Bonds5

About N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 176859635) has the molecular formula C20H14FN5O2S and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID176859635
Molecular FormulaC20H14FN5O2S
Molecular Weight407.43 g/mol
Exact Mass407.09
IUPAC NameN-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cn2)cs1)c1ccc(=O)n(Cc2ccccn2)c1
InChIInChI=1S/C20H14FN5O2S/c21-14-5-6-16(23-9-14)17-12-29-20(24-17)25-19(28)13-4-7-18(27)26(10-13)11-15-3-1-2-8-22-15/h1-10,12H,11H2,(H,24,25,28)
InChIKeyUFWUIRCXAMCOEW-UHFFFAOYSA-N
XLogP3.20
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 176859492
N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 70972246
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 176859928
1-benzyl-5-chloro-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
CID 176858676
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide
CID 176859446
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2-(4-fluorophenyl)-4-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164251
N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 129301562
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 108768206
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 176859635) is N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc(F)cn2)cs1)c1ccc(=O)n(Cc2ccccn2)c1.
What is the InChIKey of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is UFWUIRCXAMCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2S/c21-14-5-6-16(23-9-14)17-12-29-20(24-17)25-19(28)13-4-7-18(27)26(10-13)11-15-3-1-2-8-22-15/h1-10,12H,11H2,(H,24,25,28).
What are the key properties of N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 176859635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).