3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide

C23H20ClN7O — CID 166664239

IUPAC3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC(C)c3ccncn3)c(N)nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C23H20ClN7O/c1-13-10-16(11-18(24)28-13)20-19(15-6-4-3-5-7-15)31-22(25)21(30-20)23(32)29-14(2)17-8-9-26-12-27-17/h3-12,14H,1-2H3,(H2,25,31)(H,29,32)
InChIKeyQGUFUYQYPYLUPU-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.03
Rot. Bonds5

About 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide

3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 166664239) has the molecular formula C23H20ClN7O and a molecular weight of 445.91 g/mol. Its IUPAC name is 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID166664239
Molecular FormulaC23H20ClN7O
Molecular Weight445.91 g/mol
Exact Mass445.14
IUPAC Name3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC(C)c3ccncn3)c(N)nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C23H20ClN7O/c1-13-10-16(11-18(24)28-13)20-19(15-6-4-3-5-7-15)31-22(25)21(30-20)23(32)29-14(2)17-8-9-26-12-27-17/h3-12,14H,1-2H3,(H2,25,31)(H,29,32)
InChIKeyQGUFUYQYPYLUPU-UHFFFAOYSA-N
XLogP4.03
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide (CID 166664239) is 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide is Cc1cc(-c2nc(C(=O)NC(C)c3ccncn3)c(N)nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is QGUFUYQYPYLUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O/c1-13-10-16(11-18(24)28-13)20-19(15-6-4-3-5-7-15)31-22(25)21(30-20)23(32)29-14(2)17-8-9-26-12-27-17/h3-12,14H,1-2H3,(H2,25,31)(H,29,32).
What are the key properties of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide?
3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 166664239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).