4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

C22H17N5O4 — CID 90562912

IUPAC4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H17N5O4/c1-14-6-7-17(12-19(14)27(29)30)22(28)24-18-5-3-2-4-16(18)13-20-25-21(26-31-20)15-8-10-23-11-9-15/h2-12H,13H2,1H3,(H,24,28)
InChIKeyBGWVILCGGNJANC-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.19
Rot. Bonds6

About 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 90562912) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
PubChem CID90562912
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H17N5O4/c1-14-6-7-17(12-19(14)27(29)30)22(28)24-18-5-3-2-4-16(18)13-20-25-21(26-31-20)15-8-10-23-11-9-15/h2-12H,13H2,1H3,(H,24,28)
InChIKeyBGWVILCGGNJANC-UHFFFAOYSA-N
XLogP4.19
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.19
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'}

Analyze 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
2-nitro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562473
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90562953
5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
CID 90563062
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
4-methyl-3-nitro-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30330219
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 90562912) is 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The InChIKey is BGWVILCGGNJANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-14-6-7-17(12-19(14)27(29)30)22(28)24-18-5-3-2-4-16(18)13-20-25-21(26-31-20)15-8-10-23-11-9-15/h2-12H,13H2,1H3,(H,24,28).
What are the key properties of 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 415.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 90562912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).