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

C27H33N5O3 — CID 91446308

IUPACN-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCCNc1cncc(NC(=O)C(CCC)NC(=O)Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C27H33N5O3/c1-3-5-15-29-24-18-28-19-25(31-24)32-27(34)23(10-4-2)30-26(33)17-20-11-9-14-22(16-20)35-21-12-7-6-8-13-21/h6-9,11-14,16,18-19,23H,3-5,10,15,17H2,1-2H3,(H,30,33)(H2,29,31,32,34)
InChIKeyFBFCXEZBMUGXRJ-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.95
Rot. Bonds13

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

N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (PubChem CID 91446308) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
PubChem CID91446308
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCCNc1cncc(NC(=O)C(CCC)NC(=O)Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C27H33N5O3/c1-3-5-15-29-24-18-28-19-25(31-24)32-27(34)23(10-4-2)30-26(33)17-20-11-9-14-22(16-20)35-21-12-7-6-8-13-21/h6-9,11-14,16,18-19,23H,3-5,10,15,17H2,1-2H3,(H,30,33)(H2,29,31,32,34)
InChIKeyFBFCXEZBMUGXRJ-UHFFFAOYSA-N
XLogP4.95
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
CID 69292467
N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
CID 11785114
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
N-[5-(3-tert-butylphenoxy)pyrimidin-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11397848
butyl 2-(3-phenoxyphenyl)acetate
CID 22123808
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
benzyl (4R)-5-(butylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
CID 7233021
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
CID 159234420
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346
N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11385090

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (CID 91446308) is N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is CCCCNc1cncc(NC(=O)C(CCC)NC(=O)Cc2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The InChIKey is FBFCXEZBMUGXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-3-5-15-29-24-18-28-19-25(31-24)32-27(34)23(10-4-2)30-26(33)17-20-11-9-14-22(16-20)35-21-12-7-6-8-13-21/h6-9,11-14,16,18-19,23H,3-5,10,15,17H2,1-2H3,(H,30,33)(H2,29,31,32,34).
What are the key properties of N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide has a molecular weight of 475.59 g/mol, XLogP of 4.95, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 91446308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).