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

C11H16N4O3 — CID 67636617

IUPAC2-amino-3-nitro-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-2-3-4-6-14-11(16)8-5-7-13-10(12)9(8)15(17)18/h5,7H,2-4,6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyPJMIXAFQRSYEFA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.49
Rot. Bonds6

About 2-amino-3-nitro-N-pentylpyridine-4-carboxamide

2-amino-3-nitro-N-pentylpyridine-4-carboxamide (PubChem CID 67636617) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-3-nitro-N-pentylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-nitro-N-pentylpyridine-4-carboxamide
PubChem CID67636617
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-amino-3-nitro-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-2-3-4-6-14-11(16)8-5-7-13-10(12)9(8)15(17)18/h5,7H,2-4,6H2,1H3,(H2,12,13)(H,14,16)
InChIKeyPJMIXAFQRSYEFA-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

5-amino-4-nitro-N-pentylpyridine-3-carboxamide
CID 67636473
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
2-nitro-N-pentyl-3-(propylamino)benzamide
CID 115548094
2-chloro-N-(5-methylhexyl)-3-nitropyridine-4-carboxamide
CID 79209646
2-chloro-N-(4-methylsulfanylbutyl)-3-nitropyridine-4-carboxamide
CID 113247231
3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
2-amino-3-nitro-N-octylbenzamide
CID 115936915
3-nitro-4-pentoxypyridin-2-amine
CID 67636767
3-amino-N-pentylpyridine-4-carboxamide
CID 105067833
3,4,5-trimethoxy-2-nitro-N-nonylbenzamide
CID 46549879
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitro-N-pentylpyridine-4-carboxamide?
The IUPAC name of 2-amino-3-nitro-N-pentylpyridine-4-carboxamide (CID 67636617) is 2-amino-3-nitro-N-pentylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-nitro-N-pentylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-nitro-N-pentylpyridine-4-carboxamide is CCCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-nitro-N-pentylpyridine-4-carboxamide?
The InChIKey is PJMIXAFQRSYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-3-4-6-14-11(16)8-5-7-13-10(12)9(8)15(17)18/h5,7H,2-4,6H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 2-amino-3-nitro-N-pentylpyridine-4-carboxamide?
2-amino-3-nitro-N-pentylpyridine-4-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 2-amino-3-nitro-N-pentylpyridine-4-carboxamide is sourced from PubChem (CID 67636617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).