6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide

C21H20N6O2 — CID 151593325

IUPAC6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cnn(C)c2)cc(Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C21H20N6O2/c1-22-21(29)19-10-14(20(28)26-16-11-24-27(2)12-16)9-15(25-19)8-13-4-3-5-18-17(13)6-7-23-18/h3-7,9-12,23H,8H2,1-2H3,(H,22,29)(H,26,28)
InChIKeyQIYCRISLZIDEKZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.50
Rot. Bonds5

About 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide

6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide (PubChem CID 151593325) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide
PubChem CID151593325
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cnn(C)c2)cc(Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C21H20N6O2/c1-22-21(29)19-10-14(20(28)26-16-11-24-27(2)12-16)9-15(25-19)8-13-4-3-5-18-17(13)6-7-23-18/h3-7,9-12,23H,8H2,1-2H3,(H,22,29)(H,26,28)
InChIKeyQIYCRISLZIDEKZ-UHFFFAOYSA-N
XLogP2.50
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide (CID 151593325) is 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)Nc2cnn(C)c2)cc(Cc2cccc3[nH]ccc23)n1.
What is the InChIKey of 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide?
The InChIKey is QIYCRISLZIDEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-22-21(29)19-10-14(20(28)26-16-11-24-27(2)12-16)9-15(25-19)8-13-4-3-5-18-17(13)6-7-23-18/h3-7,9-12,23H,8H2,1-2H3,(H,22,29)(H,26,28).
What are the key properties of 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide?
6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 151593325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).