3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide

C21H19N3O4 — CID 55707101

IUPAC3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H19N3O4/c1-15-11-18(7-8-19(15)24(26)27)21(25)23-13-17-9-10-22-20(12-17)28-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyBBJSZQWXJKJPCI-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.81
Rot. Bonds7

About 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide

3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide (PubChem CID 55707101) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
PubChem CID55707101
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H19N3O4/c1-15-11-18(7-8-19(15)24(26)27)21(25)23-13-17-9-10-22-20(12-17)28-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyBBJSZQWXJKJPCI-UHFFFAOYSA-N
XLogP3.81
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.81
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-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitrobenzamide
CID 18155533
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 46476097
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
4-(3,4-dimethylphenyl)-4-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]butanamide
CID 55707023
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
CID 46475730
3-nitro-4-[(2-phenylmethoxy-4-pyridinyl)methylamino]benzamide
CID 60505262
N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18155549
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46475804
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide (CID 55707101) is 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide is Cc1cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is BBJSZQWXJKJPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-15-11-18(7-8-19(15)24(26)27)21(25)23-13-17-9-10-22-20(12-17)28-14-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 377.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55707101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).