2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide

C13H20N4O4 — CID 104600910

IUPAC2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C13H20N4O4/c1-9(2)21-6-4-3-5-15-13(18)11-7-10(17(19)20)8-16-12(11)14/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeySSLFDLWPEFNDMV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.51
Rot. Bonds8

About 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide

2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide (PubChem CID 104600910) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
PubChem CID104600910
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C13H20N4O4/c1-9(2)21-6-4-3-5-15-13(18)11-7-10(17(19)20)8-16-12(11)14/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeySSLFDLWPEFNDMV-UHFFFAOYSA-N
XLogP1.51
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 113429986
2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 104599367
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
CID 104586620
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-N-(2-ethylsulfinylethyl)-5-nitropyridine-3-carboxamide
CID 104589277
5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
CID 114137453
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
5-nitro-2-(4-propan-2-yloxybutylamino)benzoic acid
CID 106003878

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide (CID 104600910) is 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide is CC(C)OCCCCNC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The InChIKey is SSLFDLWPEFNDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9(2)21-6-4-3-5-15-13(18)11-7-10(17(19)20)8-16-12(11)14/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide is sourced from PubChem (CID 104600910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).