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

C19H12F2N4O2S — CID 24876397

IUPAC3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)nc1
InChIInChI=1S/C19H12F2N4O2S/c1-10-12(6-16(28-10)15-4-5-24-27-15)11-2-3-17(23-7-11)25-19(26)18-13(20)8-22-9-14(18)21/h2-9H,1H3,(H,23,25,26)
InChIKeyKMFJJSIKGMFPMX-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.70
Rot. Bonds4

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

3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24876397) has the molecular formula C19H12F2N4O2S and a molecular weight of 398.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID24876397
Molecular FormulaC19H12F2N4O2S
Molecular Weight398.39 g/mol
Exact Mass398.06
IUPAC Name3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)nc1
InChIInChI=1S/C19H12F2N4O2S/c1-10-12(6-16(28-10)15-4-5-24-27-15)11-2-3-17(23-7-11)25-19(26)18-13(20)8-22-9-14(18)21/h2-9H,1H3,(H,23,25,26)
InChIKeyKMFJJSIKGMFPMX-UHFFFAOYSA-N
XLogP4.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.70
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
5-ethyl-N-(5-(5-ethyl-2-(5-methylisoxazol-3-yl)thiazol-4-yl)pyridin-2-yl)-4-methylnicotinamide
CID 70977807
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
3-fluoro-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876148
2-fluoro-6-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]benzamide
CID 24876151
3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876152

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24876397) is 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)nc1.
What is the InChIKey of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is KMFJJSIKGMFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2S/c1-10-12(6-16(28-10)15-4-5-24-27-15)11-2-3-17(23-7-11)25-19(26)18-13(20)8-22-9-14(18)21/h2-9H,1H3,(H,23,25,26).
What are the key properties of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24876397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).