2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide

C15H15N3O3 — CID 86852927

IUPAC2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide
SMILESCc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C15H15N3O3/c1-10-6-7-13(18(20)21)8-14(10)15(19)16-9-12-5-3-4-11(2)17-12/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyYRCUFXHZLHPDJQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide

2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide (PubChem CID 86852927) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide
PubChem CID86852927
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide
SMILESCc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C15H15N3O3/c1-10-6-7-13(18(20)21)8-14(10)15(19)16-9-12-5-3-4-11(2)17-12/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyYRCUFXHZLHPDJQ-UHFFFAOYSA-N
XLogP2.54
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
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

2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfonyl-5-nitrobenzamide
CID 47893030
2-methyl-N-[2-(3-methylphenyl)ethyl]-5-nitrobenzamide
CID 60611649
2-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-5-nitrobenzamide
CID 61052943
N-(2-chloropropyl)-2-methyl-5-nitrobenzamide
CID 114296579
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
N-(2-aminopropyl)-2-methyl-5-nitrobenzamide
CID 63732523
2-methyl-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119430057
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitrobenzamide
CID 61284015
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methyl-5-nitrobenzamide
CID 115456069
N-(6-bromo-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 47363958
2,6-difluoro-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 103828478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide (CID 86852927) is 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide is Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)n1.
What is the InChIKey of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide?
The InChIKey is YRCUFXHZLHPDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-6-7-13(18(20)21)8-14(10)15(19)16-9-12-5-3-4-11(2)17-12/h3-8H,9H2,1-2H3,(H,16,19).
What are the key properties of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide?
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 86852927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).