3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide

C15H14N4O5 — CID 23849426

IUPAC3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C15H14N4O5/c1-10(2)17(14-5-3-4-6-16-14)15(20)11-7-12(18(21)22)9-13(8-11)19(23)24/h3-10H,1-2H3
InChIKeyKXAPICMTVBZVBJ-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.95
Rot. Bonds5

About 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide

3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide (PubChem CID 23849426) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide
PubChem CID23849426
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C15H14N4O5/c1-10(2)17(14-5-3-4-6-16-14)15(20)11-7-12(18(21)22)9-13(8-11)19(23)24/h3-10H,1-2H3
InChIKeyKXAPICMTVBZVBJ-UHFFFAOYSA-N
XLogP2.95
TPSA119.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
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

N-benzyl-3-nitro-N-pyridin-2-ylbenzamide
CID 799327
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
N-[1-(furan-2-yl)ethyl]-2-[(3-nitrophenyl)sulfonylamino]-N-pyridin-2-ylbenzamide;hydrochloride
CID 12006259
4-bromo-3-nitro-N,N-dipyridin-2-ylbenzamide
CID 4590979
1-(3-nitrophenyl)-2-[pyridin-2-yl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanone
CID 110830245
3,5-dinitro-N-(tripyridin-2-ylmethyl)benzamide
CID 139072422
N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 41055738
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
N-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3,5-dinitro-N-propan-2-ylbenzamide
CID 165341790
N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64994183
1-(3-nitrophenyl)-2-pyridin-4-ylpropan-1-one
CID 66469823

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide (CID 23849426) is 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide is CC(C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1.
What is the InChIKey of 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide?
The InChIKey is KXAPICMTVBZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-10(2)17(14-5-3-4-6-16-14)15(20)11-7-12(18(21)22)9-13(8-11)19(23)24/h3-10H,1-2H3.
What are the key properties of 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide?
3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide has a molecular weight of 330.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 23849426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).