5-amino-4-nitro-N-pentylpyridine-3-carboxamide

C11H16N4O3 — CID 67636473

IUPAC5-amino-4-nitro-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-2-3-4-5-14-11(16)8-6-13-7-9(12)10(8)15(17)18/h6-7H,2-5,12H2,1H3,(H,14,16)
InChIKeyMTVGUKHUVCYFOD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.49
Rot. Bonds6

About 5-amino-4-nitro-N-pentylpyridine-3-carboxamide

5-amino-4-nitro-N-pentylpyridine-3-carboxamide (PubChem CID 67636473) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-4-nitro-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-4-nitro-N-pentylpyridine-3-carboxamide
PubChem CID67636473
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-amino-4-nitro-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-2-3-4-5-14-11(16)8-6-13-7-9(12)10(8)15(17)18/h6-7H,2-5,12H2,1H3,(H,14,16)
InChIKeyMTVGUKHUVCYFOD-UHFFFAOYSA-N
XLogP1.49
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.49
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-3-nitro-N-pentylpyridine-4-carboxamide
CID 67636617
3-amino-N-pentylpyridine-4-carboxamide
CID 105067833
4-nitro-5-pentylpyridin-3-amine
CID 67637376
2,4-diamino-N-butyl-5-nitrobenzamide
CID 12792126
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
2-amino-3-nitro-N-octylbenzamide
CID 115936915
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
2-nitro-N-pentyl-3-(propylamino)benzamide
CID 115548094
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
3-amino-N-(3-ethoxypropyl)-2-nitrobenzamide
CID 115548367

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-nitro-N-pentylpyridine-3-carboxamide?
The IUPAC name of 5-amino-4-nitro-N-pentylpyridine-3-carboxamide (CID 67636473) is 5-amino-4-nitro-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-4-nitro-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-4-nitro-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cncc(N)c1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-nitro-N-pentylpyridine-3-carboxamide?
The InChIKey is MTVGUKHUVCYFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-3-4-5-14-11(16)8-6-13-7-9(12)10(8)15(17)18/h6-7H,2-5,12H2,1H3,(H,14,16).
What are the key properties of 5-amino-4-nitro-N-pentylpyridine-3-carboxamide?
5-amino-4-nitro-N-pentylpyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-nitro-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 67636473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).