5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide

C29H22N4O2 — CID 22978196

IUPAC5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)c1
InChIInChI=1S/C29H22N4O2/c1-19-14-23(18-30-17-19)29(35)31-24-9-5-8-21(15-24)28(34)22-11-12-25-26(32-33-27(25)16-22)13-10-20-6-3-2-4-7-20/h2-18H,1H3,(H,31,35)(H,32,33)/b13-10+
InChIKeyIRJPKOVHCMSCCK-JLHYYAGUSA-N
MW458.52 g/mol
LogP5.92
Rot. Bonds6

About 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide

5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 22978196) has the molecular formula C29H22N4O2 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID22978196
Molecular FormulaC29H22N4O2
Molecular Weight458.52 g/mol
Exact Mass458.17
IUPAC Name5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)c1
InChIInChI=1S/C29H22N4O2/c1-19-14-23(18-30-17-19)29(35)31-24-9-5-8-21(15-24)28(34)22-11-12-25-26(32-33-27(25)16-22)13-10-20-6-3-2-4-7-20/h2-18H,1H3,(H,31,35)(H,32,33)/b13-10+
InChIKeyIRJPKOVHCMSCCK-JLHYYAGUSA-N
XLogP5.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide (CID 22978196) is 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)c1.
What is the InChIKey of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is IRJPKOVHCMSCCK-JLHYYAGUSA-N. The full InChI is InChI=1S/C29H22N4O2/c1-19-14-23(18-30-17-19)29(35)31-24-9-5-8-21(15-24)28(34)22-11-12-25-26(32-33-27(25)16-22)13-10-20-6-3-2-4-7-20/h2-18H,1H3,(H,31,35)(H,32,33)/b13-10+.
What are the key properties of 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide?
5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 22978196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).