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

C11H14N4O3 — CID 113373704

IUPAC2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1
InChIInChI=1S/C11H14N4O3/c1-6(7-2-3-7)14-11(16)9-4-8(15(17)18)5-13-10(9)12/h4-7H,2-3H2,1H3,(H2,12,13)(H,14,16)
InChIKeyZAOSBEMGJHYWCV-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.10
Rot. Bonds4

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

2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide (PubChem CID 113373704) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
PubChem CID113373704
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1
InChIInChI=1S/C11H14N4O3/c1-6(7-2-3-7)14-11(16)9-4-8(15(17)18)5-13-10(9)12/h4-7H,2-3H2,1H3,(H2,12,13)(H,14,16)
InChIKeyZAOSBEMGJHYWCV-UHFFFAOYSA-N
XLogP1.10
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.10
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-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
CID 104589465
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
CID 47113861
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589434
2-amino-N-(1-ethylsulfanylpropan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589699
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
N-(1-cyclopropylethyl)-3,5-dinitrobenzamide
CID 47113794
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide (CID 113373704) is 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide is CC(NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide?
The InChIKey is ZAOSBEMGJHYWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6(7-2-3-7)14-11(16)9-4-8(15(17)18)5-13-10(9)12/h4-7H,2-3H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide?
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 113373704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).