N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide

C15H14N4O6 — CID 60609870

IUPACN-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide
SMILESCOc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cn1
InChIInChI=1S/C15H14N4O6/c1-9-12(6-11(18(21)22)7-13(9)19(23)24)15(20)17(2)10-4-5-14(25-3)16-8-10/h4-8H,1-3H3
InChIKeyVGJQZTAABBBCRR-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.49
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide

N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide (PubChem CID 60609870) has the molecular formula C15H14N4O6 and a molecular weight of 346.30 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide
PubChem CID60609870
Molecular FormulaC15H14N4O6
Molecular Weight346.30 g/mol
Exact Mass346.09
IUPAC NameN-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide
SMILESCOc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cn1
InChIInChI=1S/C15H14N4O6/c1-9-12(6-11(18(21)22)7-13(9)19(23)24)15(20)17(2)10-4-5-14(25-3)16-8-10/h4-8H,1-3H3
InChIKeyVGJQZTAABBBCRR-UHFFFAOYSA-N
XLogP2.49
TPSA128.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide (CID 60609870) is N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide is COc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide?
The InChIKey is VGJQZTAABBBCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6/c1-9-12(6-11(18(21)22)7-13(9)19(23)24)15(20)17(2)10-4-5-14(25-3)16-8-10/h4-8H,1-3H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide?
N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide has a molecular weight of 346.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-3,5-dinitrobenzamide is sourced from PubChem (CID 60609870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).