5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide

C12H15N3O4 — CID 54217678

IUPAC5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide
SMILESCCCCC(=O)NC(=O)c1cnc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C12H15N3O4/c1-3-4-5-10(16)14-12(17)9-6-8(2)11(13-7-9)15(18)19/h6-7H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyQAIRZQHNOHQHPD-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.74
Rot. Bonds5

About 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide

5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide (PubChem CID 54217678) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide
PubChem CID54217678
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide
SMILESCCCCC(=O)NC(=O)c1cnc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C12H15N3O4/c1-3-4-5-10(16)14-12(17)9-6-8(2)11(13-7-9)15(18)19/h6-7H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyQAIRZQHNOHQHPD-UHFFFAOYSA-N
XLogP1.74
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
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

5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide
CID 54251746
N-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide
CID 54209246
3-methyl-2-nitro-N-pentanoylpyridine-4-carboxamide
CID 54378426
2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
CID 21405400
4-nitro-N-octadecanoylbenzamide
CID 102032095
3-nitro-N-octanoylpyridine-2-carboxamide
CID 21405364
N-butanoyl-5-nitropyridine-2-carboxamide
CID 21405268
3-methyl-4-nitro-N-(pentylcarbamothioyl)benzamide
CID 18823027
5-ethynyl-3-methyl-2-nitropyridine
CID 74888633
4-methoxy-N-pentanoylbenzamide
CID 175364766
N-[(2-methyl-4-nitrophenyl)carbamothioyl]heptanamide
CID 54788937
3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
CID 5201298

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide?
The IUPAC name of 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide (CID 54217678) is 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide?
The canonical SMILES for 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide is CCCCC(=O)NC(=O)c1cnc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide?
The InChIKey is QAIRZQHNOHQHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-4-5-10(16)14-12(17)9-6-8(2)11(13-7-9)15(18)19/h6-7H,3-5H2,1-2H3,(H,14,16,17).
What are the key properties of 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide?
5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide is sourced from PubChem (CID 54217678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).