N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide

C26H19N5O — CID 162652908

IUPACN-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C26H19N5O/c32-26(30-21-6-2-1-3-7-21)19-11-9-18(10-12-19)24-16-20(13-15-28-24)22-17-29-31-25(22)23-8-4-5-14-27-23/h1-17H,(H,29,31)(H,30,32)
InChIKeyRSEGOHMKRVRWOE-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.45
Rot. Bonds5

About N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide

N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide (PubChem CID 162652908) has the molecular formula C26H19N5O and a molecular weight of 417.47 g/mol. Its IUPAC name is N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
PubChem CID162652908
Molecular FormulaC26H19N5O
Molecular Weight417.47 g/mol
Exact Mass417.16
IUPAC NameN-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C26H19N5O/c32-26(30-21-6-2-1-3-7-21)19-11-9-18(10-12-19)24-16-20(13-15-28-24)22-17-29-31-25(22)23-8-4-5-14-27-23/h1-17H,(H,29,31)(H,30,32)
InChIKeyRSEGOHMKRVRWOE-UHFFFAOYSA-N
XLogP5.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide (CID 162652908) is N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide is O=C(Nc1ccccc1)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
The InChIKey is RSEGOHMKRVRWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O/c32-26(30-21-6-2-1-3-7-21)19-11-9-18(10-12-19)24-16-20(13-15-28-24)22-17-29-31-25(22)23-8-4-5-14-27-23/h1-17H,(H,29,31)(H,30,32).
What are the key properties of N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide?
N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 162652908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).