3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide

C15H15ClN4O3 — CID 75524262

IUPAC3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide
SMILESCN(C)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C15H15ClN4O3/c1-19(2)14-5-3-4-11(18-14)9-17-15(21)10-6-7-13(20(22)23)12(16)8-10/h3-8H,9H2,1-2H3,(H,17,21)
InChIKeyLCCHHHFNPXVQAF-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.64
Rot. Bonds5

About 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide

3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide (PubChem CID 75524262) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide
PubChem CID75524262
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide
SMILESCN(C)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C15H15ClN4O3/c1-19(2)14-5-3-4-11(18-14)9-17-15(21)10-6-7-13(20(22)23)12(16)8-10/h3-8H,9H2,1-2H3,(H,17,21)
InChIKeyLCCHHHFNPXVQAF-UHFFFAOYSA-N
XLogP2.64
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.64
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-[[6-(dimethylamino)-2-pyridinyl]methyl]-3,4-diethoxybenzamide
CID 71909889
3-chloro-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 82781557
N-(2-acetamidoethyl)-3-chloro-4-nitrobenzamide
CID 82781778
3-chloro-N-(cyanomethyl)-4-nitrobenzamide
CID 82780665
3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
3-chloro-N-[(1-ethylcyclopropyl)methyl]-4-nitrobenzamide
CID 103873302
3-chloro-N-hexyl-4-nitrobenzamide
CID 82781291
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzamide
CID 82778780
3-chloro-N-(2,3-dihydroxypropyl)-4-nitrobenzamide
CID 82780881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide (CID 75524262) is 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide is CN(C)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide?
The InChIKey is LCCHHHFNPXVQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-19(2)14-5-3-4-11(18-14)9-17-15(21)10-6-7-13(20(22)23)12(16)8-10/h3-8H,9H2,1-2H3,(H,17,21).
What are the key properties of 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide?
3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide has a molecular weight of 334.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-nitrobenzamide is sourced from PubChem (CID 75524262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).