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

C28H35N5O3 — CID 11785114

IUPACN-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cncc(NC(CC)CC)n1
InChIInChI=1S/C28H35N5O3/c1-4-11-24(28(35)33-26-19-29-18-25(32-26)30-21(5-2)6-3)31-27(34)17-20-12-10-15-23(16-20)36-22-13-8-7-9-14-22/h7-10,12-16,18-19,21,24H,4-6,11,17H2,1-3H3,(H,31,34)(H2,30,32,33,35)
InChIKeyRISAPKUCHQDINO-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.34
Rot. Bonds13

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

N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (PubChem CID 11785114) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
PubChem CID11785114
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cncc(NC(CC)CC)n1
InChIInChI=1S/C28H35N5O3/c1-4-11-24(28(35)33-26-19-29-18-25(32-26)30-21(5-2)6-3)31-27(34)17-20-12-10-15-23(16-20)36-22-13-8-7-9-14-22/h7-10,12-16,18-19,21,24H,4-6,11,17H2,1-3H3,(H,31,34)(H2,30,32,33,35)
InChIKeyRISAPKUCHQDINO-UHFFFAOYSA-N
XLogP5.34
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[6-(ethylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
CID 69292467
N-[6-(butylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
CID 91446308
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
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-(5-benzylpyrimidin-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 11385090
(2R)-N-[(2S)-1-hydroxy-3-pyridin-4-ylpropan-2-yl]-2-[(2-phenylacetyl)amino]pentanamide
CID 100698551
N-[5-[3-(benzylamino)butyl]-2-pyridinyl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide;2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoic acid
CID 158293172
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346

Frequently Asked Questions

What is the IUPAC name of N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (CID 11785114) is N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cncc(NC(CC)CC)n1.
What is the InChIKey of N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The InChIKey is RISAPKUCHQDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-4-11-24(28(35)33-26-19-29-18-25(32-26)30-21(5-2)6-3)31-27(34)17-20-12-10-15-23(16-20)36-22-13-8-7-9-14-22/h7-10,12-16,18-19,21,24H,4-6,11,17H2,1-3H3,(H,31,34)(H2,30,32,33,35).
What are the key properties of N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide has a molecular weight of 489.62 g/mol, XLogP of 5.34, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pentan-3-ylamino)pyrazin-2-yl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11785114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).