5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C24H21FN6O2 — CID 135347945

IUPAC5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2F)n1
InChIInChI=1S/C24H21FN6O2/c1-15(2)31-14-26-30-22(31)20-9-6-10-21(28-20)29-24(33)18-13-17(11-12-19(18)25)27-23(32)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,27,32)(H,28,29,33)
InChIKeySHMZTHAYBWMJAN-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.56
Rot. Bonds6

About 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135347945) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID135347945
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2F)n1
InChIInChI=1S/C24H21FN6O2/c1-15(2)31-14-26-30-22(31)20-9-6-10-21(28-20)29-24(33)18-13-17(11-12-19(18)25)27-23(32)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,27,32)(H,28,29,33)
InChIKeySHMZTHAYBWMJAN-UHFFFAOYSA-N
XLogP4.56
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135347945) is 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2F)n1.
What is the InChIKey of 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is SHMZTHAYBWMJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-15(2)31-14-26-30-22(31)20-9-6-10-21(28-20)29-24(33)18-13-17(11-12-19(18)25)27-23(32)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,27,32)(H,28,29,33).
What are the key properties of 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 444.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135347945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).