4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide

C13H13N5O3 — CID 62238018

IUPAC4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NN)ccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O3/c1-8-2-3-9(7-12(8)18(20)21)16-13(19)11-6-10(17-14)4-5-15-11/h2-7H,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyCAPIPNNEFWOXAA-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.84
Rot. Bonds4

About 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide

4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide (PubChem CID 62238018) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
PubChem CID62238018
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NN)ccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O3/c1-8-2-3-9(7-12(8)18(20)21)16-13(19)11-6-10(17-14)4-5-15-11/h2-7H,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyCAPIPNNEFWOXAA-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

4-hydrazinyl-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62247149
4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62185643
N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567323
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 63671568
4-hydrazinyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63328534
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
1-(4-methyl-3-nitrophenyl)-3-pyrimidin-2-ylurea
CID 5072186
2-amino-6-chloro-N-(4-methyl-3-nitrophenyl)pyridine-4-carboxamide
CID 62153244
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide (CID 62238018) is 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(NN)ccn2)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is CAPIPNNEFWOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-8-2-3-9(7-12(8)18(20)21)16-13(19)11-6-10(17-14)4-5-15-11/h2-7H,14H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide?
4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide 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 4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62238018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).