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

C25H23FN6O2 — CID 135347906

IUPAC2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2F)n1
InChIInChI=1S/C25H23FN6O2/c1-16(2)32-15-27-31-24(32)21-9-6-10-22(29-21)30-25(34)19-14-18(11-12-20(19)26)28-23(33)13-17-7-4-3-5-8-17/h3-12,14-16H,13H2,1-2H3,(H,28,33)(H,29,30,34)
InChIKeyTVNHGOKEUASHCI-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.49
Rot. Bonds7

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

2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135347906) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID135347906
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2F)n1
InChIInChI=1S/C25H23FN6O2/c1-16(2)32-15-27-31-24(32)21-9-6-10-22(29-21)30-25(34)19-14-18(11-12-20(19)26)28-23(33)13-17-7-4-3-5-8-17/h3-12,14-16H,13H2,1-2H3,(H,28,33)(H,29,30,34)
InChIKeyTVNHGOKEUASHCI-UHFFFAOYSA-N
XLogP4.49
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135347906) is 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-5-[(2-phenylacetyl)amino]-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)Cc3ccccc3)ccc2F)n1.
What is the InChIKey of 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is TVNHGOKEUASHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-16(2)32-15-27-31-24(32)21-9-6-10-22(29-21)30-25(34)19-14-18(11-12-20(19)26)28-23(33)13-17-7-4-3-5-8-17/h3-12,14-16H,13H2,1-2H3,(H,28,33)(H,29,30,34).
What are the key properties of 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 458.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-phenylacetyl)amino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135347906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).