N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide

C16H17N5O4 — CID 11279347

IUPACN-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide
SMILESO=C(NO)c1cccc([N+](=O)[O-])c1N1CCC(c2ncccn2)CC1
InChIInChI=1S/C16H17N5O4/c22-16(19-23)12-3-1-4-13(21(24)25)14(12)20-9-5-11(6-10-20)15-17-7-2-8-18-15/h1-4,7-8,11,23H,5-6,9-10H2,(H,19,22)
InChIKeyWVYYTZBDVAAWIA-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.89
Rot. Bonds4

About N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide

N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide (PubChem CID 11279347) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide
PubChem CID11279347
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC NameN-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide
SMILESO=C(NO)c1cccc([N+](=O)[O-])c1N1CCC(c2ncccn2)CC1
InChIInChI=1S/C16H17N5O4/c22-16(19-23)12-3-1-4-13(21(24)25)14(12)20-9-5-11(6-10-20)15-17-7-2-8-18-15/h1-4,7-8,11,23H,5-6,9-10H2,(H,19,22)
InChIKeyWVYYTZBDVAAWIA-UHFFFAOYSA-N
XLogP1.89
TPSA121.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypyrrolidin-1-yl)-3-nitrobenzoic acid
CID 112576914
cis-(1R,3S)-3-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678484
cis-(1S,3R)-3-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676325
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-nitrobenzoic acid
CID 115932189
2,3-dichloro-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]benzamide
CID 23097126
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
CID 49430968
2,4-dimethyl-5-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid
CID 120538235
2-morpholin-4-yl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 86782454
N-hydroxy-3-nitro-2-phenylbenzamide
CID 173392497
methyl 1-(2-fluoro-6-nitrophenyl)piperidine-4-carboxylate
CID 67992187

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide?
The IUPAC name of N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide (CID 11279347) is N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide?
The canonical SMILES for N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide is O=C(NO)c1cccc([N+](=O)[O-])c1N1CCC(c2ncccn2)CC1.
What is the InChIKey of N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide?
The InChIKey is WVYYTZBDVAAWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c22-16(19-23)12-3-1-4-13(21(24)25)14(12)20-9-5-11(6-10-20)15-17-7-2-8-18-15/h1-4,7-8,11,23H,5-6,9-10H2,(H,19,22).
What are the key properties of N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide?
N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide has a molecular weight of 343.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-nitro-2-(4-pyrimidin-2-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 11279347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).