N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide

C15H15N3O3 — CID 67393805

IUPACN,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide
SMILESCc1cc([N+](=O)[O-])cnc1-c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C15H15N3O3/c1-10-7-13(18(20)21)9-16-14(10)11-5-4-6-12(8-11)15(19)17(2)3/h4-9H,1-3H3
InChIKeyCZAXNDWZEFMRCK-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.67
Rot. Bonds3

About N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide

N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide (PubChem CID 67393805) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide
PubChem CID67393805
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide
SMILESCc1cc([N+](=O)[O-])cnc1-c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C15H15N3O3/c1-10-7-13(18(20)21)9-16-14(10)11-5-4-6-12(8-11)15(19)17(2)3/h4-9H,1-3H3
InChIKeyCZAXNDWZEFMRCK-UHFFFAOYSA-N
XLogP2.67
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.67
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

3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
3-(3-hydroxy-2-pyridinyl)-N,N-dimethylbenzamide
CID 53218059
3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide
CID 146207479
N-[3-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231768
3,5-dinitro-2-phenylpyridine
CID 14948543
3-(6-chloro-4-methylpyridazin-3-yl)-N,N-dimethylbenzamide;3-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylbenzamide
CID 162093498
3-(2-methyl-5-nitrophenyl)benzoic acid
CID 82039488
5-methyl-3-nitroquinoline
CID 119082281
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
dimethylcarbamic acid;(2,6-dimethyl-4-nitrophenyl)-phenylmethanone
CID 157499706
N-methyl-3-nitro-N-pyrimidin-5-ylbenzamide
CID 69180461

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide?
The IUPAC name of N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide (CID 67393805) is N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide is Cc1cc([N+](=O)[O-])cnc1-c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide?
The InChIKey is CZAXNDWZEFMRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-7-13(18(20)21)9-16-14(10)11-5-4-6-12(8-11)15(19)17(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide?
N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methyl-5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 67393805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).