3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide

C22H20ClN7O — CID 166663946

IUPAC3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC(C)c3ncc[nH]3)c(N)nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C22H20ClN7O/c1-12-10-15(11-16(23)27-12)18-17(14-6-4-3-5-7-14)30-20(24)19(29-18)22(31)28-13(2)21-25-8-9-26-21/h3-11,13H,1-2H3,(H2,24,30)(H,25,26)(H,28,31)
InChIKeyIXVYCUPXHLFPEE-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.96
Rot. Bonds5

About 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide

3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide (PubChem CID 166663946) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide
PubChem CID166663946
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC Name3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC(C)c3ncc[nH]3)c(N)nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C22H20ClN7O/c1-12-10-15(11-16(23)27-12)18-17(14-6-4-3-5-7-14)30-20(24)19(29-18)22(31)28-13(2)21-25-8-9-26-21/h3-11,13H,1-2H3,(H2,24,30)(H,25,26)(H,28,31)
InChIKeyIXVYCUPXHLFPEE-UHFFFAOYSA-N
XLogP3.96
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-5-phenyl-N-(1-pyrimidin-4-ylethyl)pyrazine-2-carboxamide
CID 166664239
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 154604570
3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 166664245
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
3-amino-N-(2-chlorophenyl)-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 175551354
3-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107519383
3-amino-5-phenyl-N-(1-phenylethyl)-6-quinolin-6-ylpyrazine-2-carboxamide;3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid;1-phenylethanamine
CID 164995746
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-cyano-2-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154604800
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide (CID 166663946) is 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide is Cc1cc(-c2nc(C(=O)NC(C)c3ncc[nH]3)c(N)nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
The InChIKey is IXVYCUPXHLFPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c1-12-10-15(11-16(23)27-12)18-17(14-6-4-3-5-7-14)30-20(24)19(29-18)22(31)28-13(2)21-25-8-9-26-21/h3-11,13H,1-2H3,(H2,24,30)(H,25,26)(H,28,31).
What are the key properties of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide?
3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(1H-imidazol-2-yl)ethyl]-5-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 166663946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).