N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide

C17H28N6O4 — CID 87264068

IUPACN-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ccnc(C2CNCCO2)n1
InChIInChI=1S/C17H28N6O4/c1-2-3-4-5-13(11-23(26)12-24)17(25)22-21-15-6-7-19-16(20-15)14-10-18-8-9-27-14/h6-7,12-14,18,26H,2-5,8-11H2,1H3,(H,22,25)(H,19,20,21)
InChIKeyAGDFTOMXEFRFHX-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.62
Rot. Bonds11

About N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 87264068) has the molecular formula C17H28N6O4 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
PubChem CID87264068
Molecular FormulaC17H28N6O4
Molecular Weight380.45 g/mol
Exact Mass380.22
IUPAC NameN-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ccnc(C2CNCCO2)n1
InChIInChI=1S/C17H28N6O4/c1-2-3-4-5-13(11-23(26)12-24)17(25)22-21-15-6-7-19-16(20-15)14-10-18-8-9-27-14/h6-7,12-14,18,26H,2-5,8-11H2,1H3,(H,22,25)(H,19,20,21)
InChIKeyAGDFTOMXEFRFHX-UHFFFAOYSA-N
XLogP0.62
TPSA128.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-[(2R)-2-[[[4-(furan-3-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264425
N-hydroxy-N-[2-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87263957
N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264154
N-hydroxy-N-[(2R)-2-[[(6-pyrrol-1-ylpyridazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 10316477
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722
N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87264343
N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide
CID 23327109
N-[(2R)-2-[[[4-(aminomethyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264719
N-hydroxy-N-[2-[[[4-(2,3,4-trimethoxyphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264534
N-[2-[[[6-(dimethylamino)-7H-purin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264557
(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium
CID 91523949

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide (CID 87264068) is N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide is CCCCCC(CN(O)C=O)C(=O)NNc1ccnc(C2CNCCO2)n1.
What is the InChIKey of N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is AGDFTOMXEFRFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O4/c1-2-3-4-5-13(11-23(26)12-24)17(25)22-21-15-6-7-19-16(20-15)14-10-18-8-9-27-14/h6-7,12-14,18,26H,2-5,8-11H2,1H3,(H,22,25)(H,19,20,21).
What are the key properties of N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide has a molecular weight of 380.45 g/mol, XLogP of 0.62, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).