2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide

C24H24N4O — CID 138674302

IUPAC2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCc1ccc(-c2cc(C)c3[nH]ncc3c2)cc1
InChIInChI=1S/C24H24N4O/c1-16-13-20(14-21-15-27-28-23(16)21)19-9-7-18(8-10-19)5-3-12-26-24(29)22-6-4-11-25-17(22)2/h4,6-11,13-15H,3,5,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyAOMFNHKMXWPGTL-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.60
Rot. Bonds6

About 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide

2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide (PubChem CID 138674302) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide
PubChem CID138674302
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCc1ccc(-c2cc(C)c3[nH]ncc3c2)cc1
InChIInChI=1S/C24H24N4O/c1-16-13-20(14-21-15-27-28-23(16)21)19-9-7-18(8-10-19)5-3-12-26-24(29)22-6-4-11-25-17(22)2/h4,6-11,13-15H,3,5,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyAOMFNHKMXWPGTL-UHFFFAOYSA-N
XLogP4.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide (CID 138674302) is 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide is Cc1ncccc1C(=O)NCCCc1ccc(-c2cc(C)c3[nH]ncc3c2)cc1.
What is the InChIKey of 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide?
The InChIKey is AOMFNHKMXWPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-13-20(14-21-15-27-28-23(16)21)19-9-7-18(8-10-19)5-3-12-26-24(29)22-6-4-11-25-17(22)2/h4,6-11,13-15H,3,5,12H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide?
2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 138674302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).