N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide

C15H21N3O4 — CID 4817886

IUPACN-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CCCCC2)c([N+](=O)[O-])n1
InChIInChI=1S/C15H21N3O4/c1-10-8-9-13(14(16-10)18(20)21)22-11(2)15(19)17-12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,17,19)
InChIKeyAEZNKRSYHDXCGH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.51
Rot. Bonds5

About N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide

N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 4817886) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID4817886
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CCCCC2)c([N+](=O)[O-])n1
InChIInChI=1S/C15H21N3O4/c1-10-8-9-13(14(16-10)18(20)21)22-11(2)15(19)17-12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,17,19)
InChIKeyAEZNKRSYHDXCGH-UHFFFAOYSA-N
XLogP2.51
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.51
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

N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4818098
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
1-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 115576386
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79163623
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4964242
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
CID 7816857
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 46771023

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (CID 4817886) is N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is Cc1ccc(OC(C)C(=O)NC2CCCCC2)c([N+](=O)[O-])n1.
What is the InChIKey of N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is AEZNKRSYHDXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-8-9-13(14(16-10)18(20)21)22-11(2)15(19)17-12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 307.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 4817886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).