5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide

C13H13N5O3 — CID 62238212

IUPAC5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc(NN)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H13N5O3/c1-8-2-5-12(15-7-8)16-13(19)10-6-9(17-14)3-4-11(10)18(20)21/h2-7,17H,14H2,1H3,(H,15,16,19)
InChIKeyIMFQQFKYFGPSTD-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.84
Rot. Bonds4

About 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide

5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide (PubChem CID 62238212) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
PubChem CID62238212
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc(NN)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H13N5O3/c1-8-2-5-12(15-7-8)16-13(19)10-6-9(17-14)3-4-11(10)18(20)21/h2-7,17H,14H2,1H3,(H,15,16,19)
InChIKeyIMFQQFKYFGPSTD-UHFFFAOYSA-N
XLogP1.84
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
N-(5-methyl-2-pyridinyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55789778
5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62234667
5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide
CID 62249335
N-(3,3-dimethylbutan-2-yl)-5-hydrazinyl-2-nitrobenzamide
CID 104829982
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64525183
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 62235642
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide (CID 62238212) is 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide is Cc1ccc(NC(=O)c2cc(NN)ccc2[N+](=O)[O-])nc1.
What is the InChIKey of 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide?
The InChIKey is IMFQQFKYFGPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-8-2-5-12(15-7-8)16-13(19)10-6-9(17-14)3-4-11(10)18(20)21/h2-7,17H,14H2,1H3,(H,15,16,19).
What are the key properties of 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide?
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide has a molecular weight of 287.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 62238212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).