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

C28H34ClN7O4 — CID 53324991

IUPACN-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]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)NC1CCCNC1
InChIInChI=1S/C28H34ClN7O4/c1-19-14-34-27(32-12-9-22-5-2-3-11-31-22)28(39)36(19)17-25(37)33-15-20-13-21(29)7-8-24(20)40-18-26(38)35-23-6-4-10-30-16-23/h2-3,5,7-8,11,13-14,23,30H,4,6,9-10,12,15-18H2,1H3,(H,32,34)(H,33,37)(H,35,38)
InChIKeyOFIRXPFRMYSMNM-UHFFFAOYSA-N
MW568.08 g/mol
LogP1.82
Rot. Bonds12

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

N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 53324991) has the molecular formula C28H34ClN7O4 and a molecular weight of 568.08 g/mol. Its IUPAC name is N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID53324991
Molecular FormulaC28H34ClN7O4
Molecular Weight568.08 g/mol
Exact Mass567.24
IUPAC NameN-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]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)NC1CCCNC1
InChIInChI=1S/C28H34ClN7O4/c1-19-14-34-27(32-12-9-22-5-2-3-11-31-22)28(39)36(19)17-25(37)33-15-20-13-21(29)7-8-24(20)40-18-26(38)35-23-6-4-10-30-16-23/h2-3,5,7-8,11,13-14,23,30H,4,6,9-10,12,15-18H2,1H3,(H,32,34)(H,33,37)(H,35,38)
InChIKeyOFIRXPFRMYSMNM-UHFFFAOYSA-N
XLogP1.82
TPSA139.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.08
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide with MolForge

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Related Compounds

2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
CID 70202953
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
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CID 86291020
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CID 70197482
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
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2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
2-[3-[2-(3-fluoro-2-pyridinyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085563
2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969
2-naphthalen-1-yloxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119426850
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-[(cyclobutylamino)methyl]phenyl]methyl]acetamide
CID 10186172
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]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-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 53324991) is N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]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-oxo-2-(piperidin-3-ylamino)ethoxy]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-oxo-2-(piperidin-3-ylamino)ethoxy]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)NC1CCCNC1.
What is the InChIKey of N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is OFIRXPFRMYSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN7O4/c1-19-14-34-27(32-12-9-22-5-2-3-11-31-22)28(39)36(19)17-25(37)33-15-20-13-21(29)7-8-24(20)40-18-26(38)35-23-6-4-10-30-16-23/h2-3,5,7-8,11,13-14,23,30H,4,6,9-10,12,15-18H2,1H3,(H,32,34)(H,33,37)(H,35,38).
What are the key properties of N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 568.08 g/mol, XLogP of 1.82, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 53324991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).