3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide

C14H19N3O3 — CID 3850137

IUPAC3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H19N3O3/c18-14(9-6-11-4-2-1-3-5-11)16-13-8-7-12(10-15-13)17(19)20/h7-8,10-11H,1-6,9H2,(H,15,16,18)
InChIKeyYLKYAIPFRJFCHP-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.29
Rot. Bonds5

About 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide

3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide (PubChem CID 3850137) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
PubChem CID3850137
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H19N3O3/c18-14(9-6-11-4-2-1-3-5-11)16-13-8-7-12(10-15-13)17(19)20/h7-8,10-11H,1-6,9H2,(H,15,16,18)
InChIKeyYLKYAIPFRJFCHP-UHFFFAOYSA-N
XLogP3.29
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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CID 2931199
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CID 4129775
N'-(3-cyclopentylpropanoyl)-4-nitrobenzohydrazide
CID 5418025
3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
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3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
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3-cyclohexyl-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]propanamide
CID 54781777
N-(5-amino-4-methyl-2-pyridinyl)-3-cyclohexylpropanamide
CID 61293878
N-(5-nitro-2-pyridinyl)octadecanamide;trifluoromethanesulfonic acid
CID 71770151
3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 890273
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591359
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide (CID 3850137) is 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide is O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide?
The InChIKey is YLKYAIPFRJFCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(9-6-11-4-2-1-3-5-11)16-13-8-7-12(10-15-13)17(19)20/h7-8,10-11H,1-6,9H2,(H,15,16,18).
What are the key properties of 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide?
3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 3850137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).