N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide

C18H28N8O4 — CID 87263893

IUPACN-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)N(N)c1nc(N2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C18H28N8O4/c1-2-3-4-5-13(10-25(29)12-27)17(28)26(19)18-22-15-14(20-11-21-15)16(23-18)24-6-8-30-9-7-24/h11-13,29H,2-10,19H2,1H3,(H,20,21,22,23)
InChIKeyTXQBOCBRLXOIDB-UHFFFAOYSA-N
MW420.47 g/mol
LogP0.44
Rot. Bonds10

About N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87263893) has the molecular formula C18H28N8O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87263893
Molecular FormulaC18H28N8O4
Molecular Weight420.47 g/mol
Exact Mass420.22
IUPAC NameN-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)N(N)c1nc(N2CCOCC2)c2[nH]cnc2n1
InChIInChI=1S/C18H28N8O4/c1-2-3-4-5-13(10-25(29)12-27)17(28)26(19)18-22-15-14(20-11-21-15)16(23-18)24-6-8-30-9-7-24/h11-13,29H,2-10,19H2,1H3,(H,20,21,22,23)
InChIKeyTXQBOCBRLXOIDB-UHFFFAOYSA-N
XLogP0.44
TPSA153.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[amino-(4-propan-2-ylpyrimidin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide
CID 87434644
N-[2-[[[6-(dimethylamino)-7H-purin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264557
N-[2-[amino-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide
CID 87694545
N-[(2R)-2-[[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263887
N-hydroxy-N-[2-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87263957
N-hydroxy-N-[(2R)-2-[[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264672
N-[(2S)-2-[[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263949
N-[(2R)-2-[amino-[4-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]heptyl]-N-hydroxyformamide
CID 87694814
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
N-hydroxy-N-[2-[4-(1H-indol-7-yl)piperazine-1-carbonyl]hexyl]formamide
CID 22594056
N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide
CID 87928211
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxo-4-phenylbutan-2-yl]hexanamide
CID 73058295

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide (CID 87263893) is N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)N(N)c1nc(N2CCOCC2)c2[nH]cnc2n1.
What is the InChIKey of N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is TXQBOCBRLXOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O4/c1-2-3-4-5-13(10-25(29)12-27)17(28)26(19)18-22-15-14(20-11-21-15)16(23-18)24-6-8-30-9-7-24/h11-13,29H,2-10,19H2,1H3,(H,20,21,22,23).
What are the key properties of N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 420.47 g/mol, XLogP of 0.44, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino-(6-morpholin-4-yl-7H-purin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87263893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).