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

C19H13FN4O2S — CID 24876399

IUPAC3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2ccncc2F)nc1
InChIInChI=1S/C19H13FN4O2S/c1-11-14(8-17(27-11)16-5-7-23-26-16)12-2-3-18(22-9-12)24-19(25)13-4-6-21-10-15(13)20/h2-10H,1H3,(H,22,24,25)
InChIKeyNILCWRWPCGLKMY-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.56
Rot. Bonds4

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

3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24876399) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID24876399
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2ccncc2F)nc1
InChIInChI=1S/C19H13FN4O2S/c1-11-14(8-17(27-11)16-5-7-23-26-16)12-2-3-18(22-9-12)24-19(25)13-4-6-21-10-15(13)20/h2-10H,1H3,(H,22,24,25)
InChIKeyNILCWRWPCGLKMY-UHFFFAOYSA-N
XLogP4.56
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24876399) is 3-fluoro-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-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-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)c2ccncc2F)nc1.
What is the InChIKey of 3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is NILCWRWPCGLKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-11-14(8-17(27-11)16-5-7-23-26-16)12-2-3-18(22-9-12)24-19(25)13-4-6-21-10-15(13)20/h2-10H,1H3,(H,22,24,25).
What are the key properties of 3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?
3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24876399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).