4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide

C15H16N4O3 — CID 35027996

IUPAC4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H16N4O3/c1-10-6-7-16-14(8-10)17-15(20)11-4-5-12(18(2)3)13(9-11)19(21)22/h4-9H,1-3H3,(H,16,17,20)
InChIKeyYAGSLXQSLIXNSX-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.62
Rot. Bonds4

About 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide

4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide (PubChem CID 35027996) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
PubChem CID35027996
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
SMILESCc1ccnc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H16N4O3/c1-10-6-7-16-14(8-10)17-15(20)11-4-5-12(18(2)3)13(9-11)19(21)22/h4-9H,1-3H3,(H,16,17,20)
InChIKeyYAGSLXQSLIXNSX-UHFFFAOYSA-N
XLogP2.62
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.62
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

4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
CID 739661
3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 62682844
N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
CID 7900586
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(dimethylamino)-3-nitrobenzamide
CID 8702070
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
N-butyl-4-(dimethylamino)-3-nitrobenzamide
CID 34230456
4-(dimethylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 27659209
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(dimethylamino)-3-nitrobenzamide
CID 34547747
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide (CID 35027996) is 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide is Cc1ccnc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The InChIKey is YAGSLXQSLIXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-6-7-16-14(8-10)17-15(20)11-4-5-12(18(2)3)13(9-11)19(21)22/h4-9H,1-3H3,(H,16,17,20).
What are the key properties of 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide has a molecular weight of 300.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 35027996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).