2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

C27H26N6O — CID 155597426

IUPAC2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1nc(NC(=O)C(NCCc2ccc(C#N)cc2)c2ccccc2)ccc1-c1cnn(C)c1
InChIInChI=1S/C27H26N6O/c1-19-24(23-17-30-33(2)18-23)12-13-25(31-19)32-27(34)26(22-6-4-3-5-7-22)29-15-14-20-8-10-21(16-28)11-9-20/h3-13,17-18,26,29H,14-15H2,1-2H3,(H,31,32,34)
InChIKeyJGNAOIIEEGHQNW-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.17
Rot. Bonds8

About 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 155597426) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
PubChem CID155597426
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1nc(NC(=O)C(NCCc2ccc(C#N)cc2)c2ccccc2)ccc1-c1cnn(C)c1
InChIInChI=1S/C27H26N6O/c1-19-24(23-17-30-33(2)18-23)12-13-25(31-19)32-27(34)26(22-6-4-3-5-7-22)29-15-14-20-8-10-21(16-28)11-9-20/h3-13,17-18,26,29H,14-15H2,1-2H3,(H,31,32,34)
InChIKeyJGNAOIIEEGHQNW-UHFFFAOYSA-N
XLogP4.17
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (CID 155597426) is 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is Cc1nc(NC(=O)C(NCCc2ccc(C#N)cc2)c2ccccc2)ccc1-c1cnn(C)c1.
What is the InChIKey of 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is JGNAOIIEEGHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-19-24(23-17-30-33(2)18-23)12-13-25(31-19)32-27(34)26(22-6-4-3-5-7-22)29-15-14-20-8-10-21(16-28)11-9-20/h3-13,17-18,26,29H,14-15H2,1-2H3,(H,31,32,34).
What are the key properties of 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 450.55 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)ethylamino]-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 155597426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).