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

C16H14N4O4 — CID 4964242

IUPACN-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(C#N)c2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H14N4O4/c1-10-6-7-14(15(18-10)20(22)23)24-11(2)16(21)19-13-5-3-4-12(8-13)9-17/h3-8,11H,1-2H3,(H,19,21)
InChIKeyVRRFFMSVHREHGQ-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.58
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 4964242) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID4964242
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(C#N)c2)c([N+](=O)[O-])n1
InChIInChI=1S/C16H14N4O4/c1-10-6-7-14(15(18-10)20(22)23)24-11(2)16(21)19-13-5-3-4-12(8-13)9-17/h3-8,11H,1-2H3,(H,19,21)
InChIKeyVRRFFMSVHREHGQ-UHFFFAOYSA-N
XLogP2.58
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796
N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4818098
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 16529582
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate
CID 7583024
(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide
CID 7696286
N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4817886
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (CID 4964242) is N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is Cc1ccc(OC(C)C(=O)Nc2cccc(C#N)c2)c([N+](=O)[O-])n1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is VRRFFMSVHREHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-10-6-7-14(15(18-10)20(22)23)24-11(2)16(21)19-13-5-3-4-12(8-13)9-17/h3-8,11H,1-2H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 326.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 4964242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).