2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide

C11H12N6O3 — CID 104586731

IUPAC2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H12N6O3/c1-5-9(6(2)16-15-5)14-11(18)8-3-7(17(19)20)4-13-10(8)12/h3-4H,1-2H3,(H2,12,13)(H,14,18)(H,15,16)
InChIKeyFQIDPJJKZWKOTR-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide

2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide (PubChem CID 104586731) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide
PubChem CID104586731
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H12N6O3/c1-5-9(6(2)16-15-5)14-11(18)8-3-7(17(19)20)4-13-10(8)12/h3-4H,1-2H3,(H2,12,13)(H,14,18)(H,15,16)
InChIKeyFQIDPJJKZWKOTR-UHFFFAOYSA-N
XLogP1.16
TPSA139.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2,3-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 107187504
2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide
CID 104625777
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 43546666
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
CID 43547708
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 78995321
4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-nitrobenzamide
CID 43546422
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 62681392
N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-2-nitrobenzamide
CID 60877333
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 61092674
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide (CID 104586731) is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide?
The InChIKey is FQIDPJJKZWKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-5-9(6(2)16-15-5)14-11(18)8-3-7(17(19)20)4-13-10(8)12/h3-4H,1-2H3,(H2,12,13)(H,14,18)(H,15,16).
What are the key properties of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide?
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104586731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).