N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

C25H23N5O4 — CID 55763880

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H23N5O4/c1-17-15-20(34-25-19(16-26)5-4-12-27-25)8-9-21(17)28-24(31)18-10-13-29(14-11-18)22-6-2-3-7-23(22)30(32)33/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,28,31)
InChIKeyZTFMTIGOPMEVME-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.82
Rot. Bonds6

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 55763880) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
PubChem CID55763880
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H23N5O4/c1-17-15-20(34-25-19(16-26)5-4-12-27-25)8-9-21(17)28-24(31)18-10-13-29(14-11-18)22-6-2-3-7-23(22)30(32)33/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,28,31)
InChIKeyZTFMTIGOPMEVME-UHFFFAOYSA-N
XLogP4.82
TPSA121.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 55647504
N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 35031896
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46485378
methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate
CID 9160892
4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 46428432
(2S)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
CID 55939816
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112830947
N-[(2-ethoxy-3-pyridinyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 37487616
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55932182
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide (CID 55763880) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is ZTFMTIGOPMEVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-17-15-20(34-25-19(16-26)5-4-12-27-25)8-9-21(17)28-24(31)18-10-13-29(14-11-18)22-6-2-3-7-23(22)30(32)33/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,28,31).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55763880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).