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

C15H15N3O3 — CID 3286092

IUPACN-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-2-17(11-12-7-9-16-10-8-12)15(19)13-5-3-4-6-14(13)18(20)21/h3-10H,2,11H2,1H3
InChIKeyRFMJYMJAIWKGDH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.65
Rot. Bonds5

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

N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 3286092) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID3286092
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-2-17(11-12-7-9-16-10-8-12)15(19)13-5-3-4-6-14(13)18(20)21/h3-10H,2,11H2,1H3
InChIKeyRFMJYMJAIWKGDH-UHFFFAOYSA-N
XLogP2.65
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-nitrobenzamide
CID 55587717
N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 18830831
2-[(2-nitrobenzoyl)-propylamino]acetic acid
CID 61012063
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-benzyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738052
N-(3-aminopropyl)-N-benzyl-2-methyl-3-nitrobenzamide
CID 120649508
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19452047
2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide
CID 103733862
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide (CID 3286092) is N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RFMJYMJAIWKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-17(11-12-7-9-16-10-8-12)15(19)13-5-3-4-6-14(13)18(20)21/h3-10H,2,11H2,1H3.
What are the key properties of N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide?
N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 3286092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).