3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide

C17H12N6O5 — CID 4027518

IUPAC3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
SMILESO=C(Nc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccn1
InChIInChI=1S/C17H12N6O5/c24-17(21-15-6-2-4-8-19-15)12-9-11(22(25)26)10-13(23(27)28)16(12)20-14-5-1-3-7-18-14/h1-10H,(H,18,20)(H,19,21,24)
InChIKeyVOSMTMQIIFYFQJ-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.29
Rot. Bonds6

About 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide

3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide (PubChem CID 4027518) has the molecular formula C17H12N6O5 and a molecular weight of 380.32 g/mol. Its IUPAC name is 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide.

Molecular Properties

Compound Name3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
PubChem CID4027518
Molecular FormulaC17H12N6O5
Molecular Weight380.32 g/mol
Exact Mass380.09
IUPAC Name3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
SMILESO=C(Nc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccn1
InChIInChI=1S/C17H12N6O5/c24-17(21-15-6-2-4-8-19-15)12-9-11(22(25)26)10-13(23(27)28)16(12)20-14-5-1-3-7-18-14/h1-10H,(H,18,20)(H,19,21,24)
InChIKeyVOSMTMQIIFYFQJ-UHFFFAOYSA-N
XLogP3.29
TPSA153.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
CID 115937008
5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
CID 62154161
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-2-ylbenzamide
CID 62247733
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-2-ylbenzamide
CID 62171860
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189
3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine
CID 2846765
1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide
CID 832033
pyridin-2-amine;2,4,6-trinitrophenol
CID 54605967
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
CID 17405597
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide?
The IUPAC name of 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide (CID 4027518) is 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide.
What is the SMILES notation for 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide?
The canonical SMILES for 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide is O=C(Nc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccn1.
What is the InChIKey of 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide?
The InChIKey is VOSMTMQIIFYFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O5/c24-17(21-15-6-2-4-8-19-15)12-9-11(22(25)26)10-13(23(27)28)16(12)20-14-5-1-3-7-18-14/h1-10H,(H,18,20)(H,19,21,24).
What are the key properties of 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide?
3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide has a molecular weight of 380.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide is sourced from PubChem (CID 4027518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).