N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide

C17H24N6O4 — CID 87264196

IUPACN-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nnc2cccc(OC)c2n1
InChIInChI=1S/C17H24N6O4/c1-3-4-5-7-12(10-23(26)11-24)16(25)20-22-17-18-15-13(19-21-17)8-6-9-14(15)27-2/h6,8-9,11-12,26H,3-5,7,10H2,1-2H3,(H,20,25)(H,18,21,22)/t12-/m1/s1
InChIKeyBDBQZYYFFQPQLD-GFCCVEGCSA-N
MW376.42 g/mol
LogP1.52
Rot. Bonds11

About N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 87264196) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
PubChem CID87264196
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC NameN-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nnc2cccc(OC)c2n1
InChIInChI=1S/C17H24N6O4/c1-3-4-5-7-12(10-23(26)11-24)16(25)20-22-17-18-15-13(19-21-17)8-6-9-14(15)27-2/h6,8-9,11-12,26H,3-5,7,10H2,1-2H3,(H,20,25)(H,18,21,22)/t12-/m1/s1
InChIKeyBDBQZYYFFQPQLD-GFCCVEGCSA-N
XLogP1.52
TPSA129.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
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-[(2S)-7,7,7-trifluoro-2-[[(5-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 87263947
N-hydroxy-N-[2-[[[4-(2,3,4-trimethoxyphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264534
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-hydroxy-N-[(2S)-2-[[(7-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]-5-methylhexyl]formamide
CID 87264211
N-hydroxy-N-[(2R)-2-[[(6-pyrrol-1-ylpyridazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 10316477
(3R)-N-hydroxy-3-[[(5-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]octanamide
CID 87755959
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263921
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
CID 87264455
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide (CID 87264196) is N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nnc2cccc(OC)c2n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is BDBQZYYFFQPQLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-3-4-5-7-12(10-23(26)11-24)16(25)20-22-17-18-15-13(19-21-17)8-6-9-14(15)27-2/h6,8-9,11-12,26H,3-5,7,10H2,1-2H3,(H,20,25)(H,18,21,22)/t12-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide has a molecular weight of 376.42 g/mol, XLogP of 1.52, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).