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

C21H17N3O2S — CID 24876549

IUPAC3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ncco3)cc2C)cc1
InChIInChI=1S/C21H17N3O2S/c1-13-11-18(21-23-9-10-26-21)27-19(13)15-3-5-16(6-4-15)24-20(25)17-7-8-22-12-14(17)2/h3-12H,1-2H3,(H,24,25)
InChIKeyYBFYHJUUMVRXFS-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.33
Rot. Bonds4

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

3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 24876549) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
PubChem CID24876549
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ncco3)cc2C)cc1
InChIInChI=1S/C21H17N3O2S/c1-13-11-18(21-23-9-10-26-21)27-19(13)15-3-5-16(6-4-15)24-20(25)17-7-8-22-12-14(17)2/h3-12H,1-2H3,(H,24,25)
InChIKeyYBFYHJUUMVRXFS-UHFFFAOYSA-N
XLogP5.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide (CID 24876549) is 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ncco3)cc2C)cc1.
What is the InChIKey of 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is YBFYHJUUMVRXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-11-18(21-23-9-10-26-21)27-19(13)15-3-5-16(6-4-15)24-20(25)17-7-8-22-12-14(17)2/h3-12H,1-2H3,(H,24,25).
What are the key properties of 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 24876549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).