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

C14H14N4O3 — CID 46699592

IUPACN-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14N4O3/c1-17(2)13-8-7-10(9-15-13)16-14(19)11-5-3-4-6-12(11)18(20)21/h3-9H,1-2H3,(H,16,19)
InChIKeyYNWMEPJXNZQRIP-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.31
Rot. Bonds4

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

N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide (PubChem CID 46699592) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide
PubChem CID46699592
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14N4O3/c1-17(2)13-8-7-10(9-15-13)16-14(19)11-5-3-4-6-12(11)18(20)21/h3-9H,1-2H3,(H,16,19)
InChIKeyYNWMEPJXNZQRIP-UHFFFAOYSA-N
XLogP2.31
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.31
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

2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
2-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
N-[6-(dimethylamino)-3-pyridinyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 30295546
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-nitrobenzamide
CID 31907871
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
N-(6-bromo-3-pyridinyl)-2-methyl-3-nitrobenzamide
CID 103789431
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide (CID 46699592) is N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide is CN(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide?
The InChIKey is YNWMEPJXNZQRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17(2)13-8-7-10(9-15-13)16-14(19)11-5-3-4-6-12(11)18(20)21/h3-9H,1-2H3,(H,16,19).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide?
N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide is sourced from PubChem (CID 46699592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).