N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide

C20H16N4O — CID 171358233

IUPACN-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide
SMILESCc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C20H16N4O/c1-13-9-16(12-21-11-13)15-7-8-18-17(10-15)19(24-23-18)22-20(25)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,23,24,25)
InChIKeyVHFOYAVJKHGBEL-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.19
Rot. Bonds3

About N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide

N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide (PubChem CID 171358233) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide
PubChem CID171358233
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide
SMILESCc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C20H16N4O/c1-13-9-16(12-21-11-13)15-7-8-18-17(10-15)19(24-23-18)22-20(25)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,23,24,25)
InChIKeyVHFOYAVJKHGBEL-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide (CID 171358233) is N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide is Cc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1.
What is the InChIKey of N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide?
The InChIKey is VHFOYAVJKHGBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-9-16(12-21-11-13)15-7-8-18-17(10-15)19(24-23-18)22-20(25)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,23,24,25).
What are the key properties of N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide?
N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide has a molecular weight of 328.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 171358233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).