N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

C26H29ClN6O4 — CID 53317095

IUPACN-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C26H29ClN6O4/c1-17-13-31-25(29-11-9-20-4-2-3-10-28-20)26(36)33(17)15-23(34)30-14-18-12-19(27)5-8-22(18)37-16-24(35)32-21-6-7-21/h2-5,8,10,12-13,21H,6-7,9,11,14-16H2,1H3,(H,29,31)(H,30,34)(H,32,35)
InChIKeyCBLIFUWCRNPPNF-UHFFFAOYSA-N
MW525.01 g/mol
LogP2.23
Rot. Bonds12

About N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 53317095) has the molecular formula C26H29ClN6O4 and a molecular weight of 525.01 g/mol. Its IUPAC name is N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID53317095
Molecular FormulaC26H29ClN6O4
Molecular Weight525.01 g/mol
Exact Mass524.19
IUPAC NameN-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C26H29ClN6O4/c1-17-13-31-25(29-11-9-20-4-2-3-10-28-20)26(36)33(17)15-23(34)30-14-18-12-19(27)5-8-22(18)37-16-24(35)32-21-6-7-21/h2-5,8,10,12-13,21H,6-7,9,11,14-16H2,1H3,(H,29,31)(H,30,34)(H,32,35)
InChIKeyCBLIFUWCRNPPNF-UHFFFAOYSA-N
XLogP2.23
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.01
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 53317095) is N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1.
What is the InChIKey of N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is CBLIFUWCRNPPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O4/c1-17-13-31-25(29-11-9-20-4-2-3-10-28-20)26(36)33(17)15-23(34)30-14-18-12-19(27)5-8-22(18)37-16-24(35)32-21-6-7-21/h2-5,8,10,12-13,21H,6-7,9,11,14-16H2,1H3,(H,29,31)(H,30,34)(H,32,35).
What are the key properties of N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 525.01 g/mol, XLogP of 2.23, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 53317095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).