3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide

C21H22ClN5O2 — CID 16752353

IUPAC3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNc1nc(Cl)cn(CCc2ccccc2)c1=O)NCc1ccccn1
InChIInChI=1S/C21H22ClN5O2/c22-18-15-27(13-10-16-6-2-1-3-7-16)21(29)20(26-18)24-12-9-19(28)25-14-17-8-4-5-11-23-17/h1-8,11,15H,9-10,12-14H2,(H,24,26)(H,25,28)
InChIKeyLMAMZIYORUJIBT-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.65
Rot. Bonds9

About 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide

3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 16752353) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID16752353
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNc1nc(Cl)cn(CCc2ccccc2)c1=O)NCc1ccccn1
InChIInChI=1S/C21H22ClN5O2/c22-18-15-27(13-10-16-6-2-1-3-7-16)21(29)20(26-18)24-12-9-19(28)25-14-17-8-4-5-11-23-17/h1-8,11,15H,9-10,12-14H2,(H,24,26)(H,25,28)
InChIKeyLMAMZIYORUJIBT-UHFFFAOYSA-N
XLogP2.65
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023273
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023302
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide
CID 16752454
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 42537147
N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 42274485
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 75509069

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide (CID 16752353) is 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide is O=C(CCNc1nc(Cl)cn(CCc2ccccc2)c1=O)NCc1ccccn1.
What is the InChIKey of 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is LMAMZIYORUJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c22-18-15-27(13-10-16-6-2-1-3-7-16)21(29)20(26-18)24-12-9-19(28)25-14-17-8-4-5-11-23-17/h1-8,11,15H,9-10,12-14H2,(H,24,26)(H,25,28).
What are the key properties of 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide?
3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 411.89 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 16752353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).