N-(3,4-dimethyl-2-pyridinyl)nitramide

C7H9N3O2 — CID 174290384

IUPACN-(3,4-dimethyl-2-pyridinyl)nitramide
SMILESCc1ccnc(N[N+](=O)[O-])c1C
InChIInChI=1S/C7H9N3O2/c1-5-3-4-8-7(6(5)2)9-10(11)12/h3-4H,1-2H3,(H,8,9)
InChIKeyRZQJZKJXRNTFCF-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.30
Rot. Bonds2

About N-(3,4-dimethyl-2-pyridinyl)nitramide

N-(3,4-dimethyl-2-pyridinyl)nitramide (PubChem CID 174290384) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-pyridinyl)nitramide
PubChem CID174290384
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(3,4-dimethyl-2-pyridinyl)nitramide
SMILESCc1ccnc(N[N+](=O)[O-])c1C
InChIInChI=1S/C7H9N3O2/c1-5-3-4-8-7(6(5)2)9-10(11)12/h3-4H,1-2H3,(H,8,9)
InChIKeyRZQJZKJXRNTFCF-UHFFFAOYSA-N
XLogP1.30
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-pyridinyl)nitramide
CID 572095
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
N-(2-nitramido-3-pyridinyl)nitramide
CID 15047297
N-(3-iodo-2-pyridinyl)nitramide
CID 119093198
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
3,4-dimethyl-N-propylpyridin-2-amine
CID 123894121
N-(2,6-dimethylphenyl)nitramide
CID 13106750
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
3-ethenyl-4-methyl-2-nitropyridine
CID 74888397
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-pyridinyl)nitramide?
The IUPAC name of N-(3,4-dimethyl-2-pyridinyl)nitramide (CID 174290384) is N-(3,4-dimethyl-2-pyridinyl)nitramide.
What is the SMILES notation for N-(3,4-dimethyl-2-pyridinyl)nitramide?
The canonical SMILES for N-(3,4-dimethyl-2-pyridinyl)nitramide is Cc1ccnc(N[N+](=O)[O-])c1C.
What is the InChIKey of N-(3,4-dimethyl-2-pyridinyl)nitramide?
The InChIKey is RZQJZKJXRNTFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5-3-4-8-7(6(5)2)9-10(11)12/h3-4H,1-2H3,(H,8,9).
What are the key properties of N-(3,4-dimethyl-2-pyridinyl)nitramide?
N-(3,4-dimethyl-2-pyridinyl)nitramide has a molecular weight of 167.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-pyridinyl)nitramide is sourced from PubChem (CID 174290384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).