N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide

C18H23N5O4 — CID 87199806

IUPACN-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide
SMILESCOCCNc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cn1
InChIInChI=1S/C18H23N5O4/c1-27-9-8-20-16-7-6-14(11-21-16)12-2-4-13(5-3-12)17(24)22-15(10-19)18(25)23-26/h2-7,11,15,26H,8-10,19H2,1H3,(H,20,21)(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyGNGDEBIIDDGDGV-HNNXBMFYSA-N
MW373.41 g/mol
LogP0.37
Rot. Bonds9

About N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide

N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide (PubChem CID 87199806) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide
PubChem CID87199806
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC NameN-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide
SMILESCOCCNc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cn1
InChIInChI=1S/C18H23N5O4/c1-27-9-8-20-16-7-6-14(11-21-16)12-2-4-13(5-3-12)17(24)22-15(10-19)18(25)23-26/h2-7,11,15,26H,8-10,19H2,1H3,(H,20,21)(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyGNGDEBIIDDGDGV-HNNXBMFYSA-N
XLogP0.37
TPSA138.60 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(azepan-1-yl)-3-pyridinyl]benzamide
CID 87199955
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-6-(oct-2-ynylamino)pyridine-3-carboxamide
CID 59324005
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide
CID 89072084
4-[4-[(2-aminoacetyl)amino]phenyl]-N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide
CID 87199616
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide;methane
CID 157286348
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-(4-methylphenyl)ethynyl]benzamide;methane
CID 159738618
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]benzamide
CID 87310386
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[4-[(cyclopentylamino)methyl]phenyl]benzamide
CID 87199719
5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;dihydrochloride
CID 162339864
5-(aminomethyl)-N-(2-methoxyethyl)pyridin-2-amine;methane
CID 160536663
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide?
The IUPAC name of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide (CID 87199806) is N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide is COCCNc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cn1.
What is the InChIKey of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide?
The InChIKey is GNGDEBIIDDGDGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-27-9-8-20-16-7-6-14(11-21-16)12-2-4-13(5-3-12)17(24)22-15(10-19)18(25)23-26/h2-7,11,15,26H,8-10,19H2,1H3,(H,20,21)(H,22,24)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide?
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 0.37, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 87199806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).