6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide

C24H21N5O2 — CID 165385357

IUPAC6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)nc2OCC)cc1
InChIInChI=1S/C24H21N5O2/c1-4-31-23-20(16-8-10-19(25-2)11-9-16)12-13-21(27-23)24(30)29(3)15-18-7-5-6-17-14-26-28-22(17)18/h5-14H,4,15H2,1,3H3,(H,26,28)
InChIKeySKCYGPYGCXQSKH-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.85
Rot. Bonds6

About 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide

6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 165385357) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide
PubChem CID165385357
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)nc2OCC)cc1
InChIInChI=1S/C24H21N5O2/c1-4-31-23-20(16-8-10-19(25-2)11-9-16)12-13-21(27-23)24(30)29(3)15-18-7-5-6-17-14-26-28-22(17)18/h5-14H,4,15H2,1,3H3,(H,26,28)
InChIKeySKCYGPYGCXQSKH-UHFFFAOYSA-N
XLogP4.85
TPSA75.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide (CID 165385357) is 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide is [C-]#[N+]c1ccc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)nc2OCC)cc1.
What is the InChIKey of 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is SKCYGPYGCXQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-4-31-23-20(16-8-10-19(25-2)11-9-16)12-13-21(27-23)24(30)29(3)15-18-7-5-6-17-14-26-28-22(17)18/h5-14H,4,15H2,1,3H3,(H,26,28).
What are the key properties of 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide?
6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(1H-indazol-7-ylmethyl)-5-(4-isocyanophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 165385357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).