2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide

C11H14N4O3 — CID 104599377

IUPAC2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
SMILESCC1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1
InChIInChI=1S/C11H14N4O3/c1-11(3-2-4-11)14-10(16)8-5-7(15(17)18)6-13-9(8)12/h5-6H,2-4H2,1H3,(H2,12,13)(H,14,16)
InChIKeyWSPYCVJWCTZREV-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.24
Rot. Bonds3

About 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide

2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide (PubChem CID 104599377) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
PubChem CID104599377
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
SMILESCC1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1
InChIInChI=1S/C11H14N4O3/c1-11(3-2-4-11)14-10(16)8-5-7(15(17)18)6-13-9(8)12/h5-6H,2-4H2,1H3,(H2,12,13)(H,14,16)
InChIKeyWSPYCVJWCTZREV-UHFFFAOYSA-N
XLogP1.24
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-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-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 55042048
2-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
CID 107299437
2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
CID 104589465
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide
CID 62173702
2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589434
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide (CID 104599377) is 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide is CC1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1.
What is the InChIKey of 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide?
The InChIKey is WSPYCVJWCTZREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-11(3-2-4-11)14-10(16)8-5-7(15(17)18)6-13-9(8)12/h5-6H,2-4H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide?
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104599377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).