N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

C21H22ClN5O2 — CID 51003505

IUPACN-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C21H22ClN5O2/c1-15-12-26-20(24-10-8-18-7-2-3-9-23-18)21(29)27(15)14-19(28)25-13-16-5-4-6-17(22)11-16/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,24,26)(H,25,28)
InChIKeyBPKGPYPCFBYXRF-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.57
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 51003505) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID51003505
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C21H22ClN5O2/c1-15-12-26-20(24-10-8-18-7-2-3-9-23-18)21(29)27(15)14-19(28)25-13-16-5-4-6-17(22)11-16/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,24,26)(H,25,28)
InChIKeyBPKGPYPCFBYXRF-UHFFFAOYSA-N
XLogP2.57
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 51003505) is N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is BPKGPYPCFBYXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-15-12-26-20(24-10-8-18-7-2-3-9-23-18)21(29)27(15)14-19(28)25-13-16-5-4-6-17(22)11-16/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 51003505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).