N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide

C15H15N3O4 — CID 75504350

IUPACN-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H15N3O4/c1-2-17(10-11-5-3-4-8-16-11)15(20)13-7-6-12(18(21)22)9-14(13)19/h3-9,19H,2,10H2,1H3
InChIKeyDKSFSBLVEKYOQN-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide

N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 75504350) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID75504350
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H15N3O4/c1-2-17(10-11-5-3-4-8-16-11)15(20)13-7-6-12(18(21)22)9-14(13)19/h3-9,19H,2,10H2,1H3
InChIKeyDKSFSBLVEKYOQN-UHFFFAOYSA-N
XLogP2.36
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084705
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenol
CID 136730929
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084660
2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 86797945
4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732482
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide
CID 86798485
N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 55889095

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 75504350) is N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide is CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DKSFSBLVEKYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-17(10-11-5-3-4-8-16-11)15(20)13-7-6-12(18(21)22)9-14(13)19/h3-9,19H,2,10H2,1H3.
What are the key properties of N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 301.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 75504350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).