2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide

C21H33N3O4 — CID 21405400

IUPAC2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
SMILESCCCCCCCCCCCCCC(=O)NC(=O)c1cc([N+](=O)[O-])cnc1C
InChIInChI=1S/C21H33N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(25)23-21(26)19-15-18(24(27)28)16-22-17(19)2/h15-16H,3-14H2,1-2H3,(H,23,25,26)
InChIKeyUVQLGPJKVQNVGB-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.26
Rot. Bonds14

About 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide

2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide (PubChem CID 21405400) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
PubChem CID21405400
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide
SMILESCCCCCCCCCCCCCC(=O)NC(=O)c1cc([N+](=O)[O-])cnc1C
InChIInChI=1S/C21H33N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(25)23-21(26)19-15-18(24(27)28)16-22-17(19)2/h15-16H,3-14H2,1-2H3,(H,23,25,26)
InChIKeyUVQLGPJKVQNVGB-UHFFFAOYSA-N
XLogP5.26
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
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

4-nitro-N-octadecanoylbenzamide
CID 102032095
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
CID 47291156
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 109478731
(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 119370336
5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide
CID 54217678
3-methyl-2-nitro-N-pentanoylpyridine-4-carboxamide
CID 54378426
2-[2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526395
3-nitro-N-octanoylpyridine-2-carboxamide
CID 21405364
N-[(2-methyl-4-nitrophenyl)carbamothioyl]heptanamide
CID 54788937
N-butanoyl-5-nitropyridine-2-carboxamide
CID 21405268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide (CID 21405400) is 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide is CCCCCCCCCCCCCC(=O)NC(=O)c1cc([N+](=O)[O-])cnc1C.
What is the InChIKey of 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide?
The InChIKey is UVQLGPJKVQNVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(25)23-21(26)19-15-18(24(27)28)16-22-17(19)2/h15-16H,3-14H2,1-2H3,(H,23,25,26).
What are the key properties of 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide?
2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 5.26, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-tetradecanoylpyridine-3-carboxamide is sourced from PubChem (CID 21405400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).