N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

C21H24N6O2 — CID 10548542

IUPACN-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C21H24N6O2/c1-15-11-26-20(23-10-9-16-5-3-2-4-6-16)21(29)27(15)14-19(28)25-13-17-7-8-18(22)24-12-17/h2-8,11-12H,9-10,13-14H2,1H3,(H2,22,24)(H,23,26)(H,25,28)
InChIKeyOMRMVFNHGSWDAM-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.50
Rot. Bonds8

About N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide

N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (PubChem CID 10548542) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
PubChem CID10548542
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C21H24N6O2/c1-15-11-26-20(23-10-9-16-5-3-2-4-6-16)21(29)27(15)14-19(28)25-13-17-7-8-18(22)24-12-17/h2-8,11-12H,9-10,13-14H2,1H3,(H2,22,24)(H,23,26)(H,25,28)
InChIKeyOMRMVFNHGSWDAM-UHFFFAOYSA-N
XLogP1.50
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide (CID 10548542) is N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is OMRMVFNHGSWDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-11-26-20(23-10-9-16-5-3-2-4-6-16)21(29)27(15)14-19(28)25-13-17-7-8-18(22)24-12-17/h2-8,11-12H,9-10,13-14H2,1H3,(H2,22,24)(H,23,26)(H,25,28).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide?
N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 10548542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).