2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

C11H13F3N4O3 — CID 104599367

IUPAC2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H13F3N4O3/c12-11(13,14)3-1-2-4-16-10(19)8-5-7(18(20)21)6-17-9(8)15/h5-6H,1-4H2,(H2,15,17)(H,16,19)
InChIKeyOJMKBVREMNLSOC-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.03
Rot. Bonds6

About 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (PubChem CID 104599367) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
PubChem CID104599367
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC Name2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H13F3N4O3/c12-11(13,14)3-1-2-4-16-10(19)8-5-7(18(20)21)6-17-9(8)15/h5-6H,1-4H2,(H2,15,17)(H,16,19)
InChIKeyOJMKBVREMNLSOC-UHFFFAOYSA-N
XLogP2.03
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
CID 104586620
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
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
CID 107299437
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
2-chloro-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175918
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (CID 104599367) is 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The InChIKey is OJMKBVREMNLSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3/c12-11(13,14)3-1-2-4-16-10(19)8-5-7(18(20)21)6-17-9(8)15/h5-6H,1-4H2,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide has a molecular weight of 306.24 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is sourced from PubChem (CID 104599367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).