3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide

C20H15FN4O2S — CID 24876475

IUPAC3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cncc(F)c1C(=O)Nc1ccc(-c2cc(-c3ccno3)sc2C)cn1
InChIInChI=1S/C20H15FN4O2S/c1-11-8-22-10-15(21)19(11)20(26)25-18-4-3-13(9-23-18)14-7-17(28-12(14)2)16-5-6-24-27-16/h3-10H,1-2H3,(H,23,25,26)
InChIKeyVRBCBWGCJZPWNU-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.87
Rot. Bonds4

About 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide

3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24876475) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID24876475
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cncc(F)c1C(=O)Nc1ccc(-c2cc(-c3ccno3)sc2C)cn1
InChIInChI=1S/C20H15FN4O2S/c1-11-8-22-10-15(21)19(11)20(26)25-18-4-3-13(9-23-18)14-7-17(28-12(14)2)16-5-6-24-27-16/h3-10H,1-2H3,(H,23,25,26)
InChIKeyVRBCBWGCJZPWNU-UHFFFAOYSA-N
XLogP4.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
CID 68639684
5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95799418
5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 95799419
5-fluoro-4-methyl-N-(5-(5-methyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)nicotinamide
CID 70980271
N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-5-fluoro-4-methylnicotinamide
CID 71010065
[4-[5-(3-Methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 92417772
5-ethyl-N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-4-methylnicotinamide
CID 70977807
N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-4,5-dimethylnicotinamide
CID 70978214
N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-4-methylnicotinamide
CID 70978435
2,6-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]-2-pyridinyl]benzamide
CID 24775809
2,6-difluoro-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide
CID 24876062
3,5-difluoro-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876147

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24876475) is 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cncc(F)c1C(=O)Nc1ccc(-c2cc(-c3ccno3)sc2C)cn1.
What is the InChIKey of 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is VRBCBWGCJZPWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-11-8-22-10-15(21)19(11)20(26)25-18-4-3-13(9-23-18)14-7-17(28-12(14)2)16-5-6-24-27-16/h3-10H,1-2H3,(H,23,25,26).
What are the key properties of 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24876475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).