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

C20H16N4O2S — CID 24876060

IUPAC3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ncco3)cc2C)cn1
InChIInChI=1S/C20H16N4O2S/c1-12-9-16(20-22-7-8-26-20)27-18(12)14-3-4-17(23-11-14)24-19(25)15-5-6-21-10-13(15)2/h3-11H,1-2H3,(H,23,24,25)
InChIKeyLDYXOQJWNNVEOE-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.73
Rot. Bonds4

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

3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24876060) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID24876060
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ncco3)cc2C)cn1
InChIInChI=1S/C20H16N4O2S/c1-12-9-16(20-22-7-8-26-20)27-18(12)14-3-4-17(23-11-14)24-19(25)15-5-6-21-10-13(15)2/h3-11H,1-2H3,(H,23,24,25)
InChIKeyLDYXOQJWNNVEOE-UHFFFAOYSA-N
XLogP4.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24876060) is 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ncco3)cc2C)cn1.
What is the InChIKey of 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is LDYXOQJWNNVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-12-9-16(20-22-7-8-26-20)27-18(12)14-3-4-17(23-11-14)24-19(25)15-5-6-21-10-13(15)2/h3-11H,1-2H3,(H,23,24,25).
What are the key properties of 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24876060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).