3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide

C19H15N5O5 — CID 132554500

IUPAC3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C19H15N5O5/c25-19(16-7-17(23(26)27)9-18(8-16)24(28)29)22(12-14-3-1-5-20-10-14)13-15-4-2-6-21-11-15/h1-11H,12-13H2
InChIKeyYQCMIAIUYCVVNW-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.14
Rot. Bonds7

About 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide

3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide (PubChem CID 132554500) has the molecular formula C19H15N5O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
PubChem CID132554500
Molecular FormulaC19H15N5O5
Molecular Weight393.36 g/mol
Exact Mass393.11
IUPAC Name3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C19H15N5O5/c25-19(16-7-17(23(26)27)9-18(8-16)24(28)29)22(12-14-3-1-5-20-10-14)13-15-4-2-6-21-11-15/h1-11H,12-13H2
InChIKeyYQCMIAIUYCVVNW-UHFFFAOYSA-N
XLogP3.14
TPSA132.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
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

3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 75435792
N-(4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-3-ylmethyl)benzamide
CID 40983351
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
2-chloro-N-(2-cyanoethyl)-4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 134013347
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80905726
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 75426702
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 133270679
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dinitrobenzamide
CID 60598595

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide (CID 132554500) is 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide is O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide?
The InChIKey is YQCMIAIUYCVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5/c25-19(16-7-17(23(26)27)9-18(8-16)24(28)29)22(12-14-3-1-5-20-10-14)13-15-4-2-6-21-11-15/h1-11H,12-13H2.
What are the key properties of 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide?
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide has a molecular weight of 393.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 132554500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).