2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide

C15H15N3O4 — CID 30889614

IUPAC2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccnc1
InChIInChI=1S/C15H15N3O4/c1-22-14-5-4-12(18(20)21)9-13(14)15(19)17-8-6-11-3-2-7-16-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)
InChIKeyIUUZRHLBXRPREZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.97
Rot. Bonds6

About 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide

2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 30889614) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID30889614
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccnc1
InChIInChI=1S/C15H15N3O4/c1-22-14-5-4-12(18(20)21)9-13(14)15(19)17-8-6-11-3-2-7-16-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)
InChIKeyIUUZRHLBXRPREZ-UHFFFAOYSA-N
XLogP1.97
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.97
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

N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 60913756
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-methoxy-5-nitrobenzoate
CID 8994246
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
CID 33173643
2-methoxy-5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413812

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide (CID 30889614) is 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccnc1.
What is the InChIKey of 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is IUUZRHLBXRPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-22-14-5-4-12(18(20)21)9-13(14)15(19)17-8-6-11-3-2-7-16-10-11/h2-5,7,9-10H,6,8H2,1H3,(H,17,19).
What are the key properties of 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide?
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 301.30 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 30889614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).