N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide

C25H29N5O3 — CID 69292467

IUPACN-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cncc(NCC)n1
InChIInChI=1S/C25H29N5O3/c1-3-9-21(25(32)30-23-17-26-16-22(29-23)27-4-2)28-24(31)15-18-10-8-13-20(14-18)33-19-11-6-5-7-12-19/h5-8,10-14,16-17,21H,3-4,9,15H2,1-2H3,(H,28,31)(H2,27,29,30,32)
InChIKeyNTXHDCDNFWVVJM-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.17
Rot. Bonds11

About N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide

N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (PubChem CID 69292467) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
PubChem CID69292467
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cncc(NCC)n1
InChIInChI=1S/C25H29N5O3/c1-3-9-21(25(32)30-23-17-26-16-22(29-23)27-4-2)28-24(31)15-18-10-8-13-20(14-18)33-19-11-6-5-7-12-19/h5-8,10-14,16-17,21H,3-4,9,15H2,1-2H3,(H,28,31)(H2,27,29,30,32)
InChIKeyNTXHDCDNFWVVJM-UHFFFAOYSA-N
XLogP4.17
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide with MolForge

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Related Compounds

N-2-pyrazinyl-9H-xanthene-9-carboxamide
CID 1246885
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CID 57401138
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CID 121478709
2-(3-Methoxyphenyl)-N-{1-oxo-1-[4-(pyridin-2-YL)piperazin-1-YL]propan-2-YL}acetamide
CID 53161544
2-(4-Methoxyphenyl)-1-{4-[(3-methoxypyrazin-2-YL)amino]piperidin-1-YL}ethan-1-one
CID 53185533
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46392185
2-(3-Methoxyphenyl)-1-{4-[(3-methoxypyrazin-2-YL)amino]piperidin-1-YL}ethan-1-one
CID 53185532
(3-(pyrazin-2-ylamino)azetidin-1-yl)(9H-xanthen-9-yl)methanone
CID 131703831
N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]-2-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pentanamide
CID 11691963
2-[4-(4-fluorophenoxy)phenyl]-N-pyrazin-2-ylpropanamide
CID 52915331
(2S)-2-[3-(3-ethenyl-2-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-pyrazin-2-ylpentanamide
CID 57920071
N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118211267

Frequently Asked Questions

What is the IUPAC name of N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (CID 69292467) is N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cncc(NCC)n1.
What is the InChIKey of N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The InChIKey is NTXHDCDNFWVVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-9-21(25(32)30-23-17-26-16-22(29-23)27-4-2)28-24(31)15-18-10-8-13-20(14-18)33-19-11-6-5-7-12-19/h5-8,10-14,16-17,21H,3-4,9,15H2,1-2H3,(H,28,31)(H2,27,29,30,32).
What are the key properties of N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide has a molecular weight of 447.54 g/mol, XLogP of 4.17, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 69292467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).