5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide

C18H13N5O4 — CID 3383086

IUPAC5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccn1)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N5O4/c24-17(21-15-5-1-3-7-19-15)12-9-13(11-14(10-12)23(26)27)18(25)22-16-6-2-4-8-20-16/h1-11H,(H,19,21,24)(H,20,22,25)
InChIKeyLKWBGSGLFSWXOM-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.89
Rot. Bonds5

About 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide

5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide (PubChem CID 3383086) has the molecular formula C18H13N5O4 and a molecular weight of 363.33 g/mol. Its IUPAC name is 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
PubChem CID3383086
Molecular FormulaC18H13N5O4
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC Name5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccn1)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N5O4/c24-17(21-15-5-1-3-7-19-15)12-9-13(11-14(10-12)23(26)27)18(25)22-16-6-2-4-8-20-16/h1-11H,(H,19,21,24)(H,20,22,25)
InChIKeyLKWBGSGLFSWXOM-UHFFFAOYSA-N
XLogP2.89
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
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

3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
CID 4027518
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-2-ylbenzamide
CID 62247733
3,5-dinitro-N-(tripyridin-2-ylmethyl)benzamide
CID 139072422
3-amino-5-nitro-N-[(E)-[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 171979086
3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-pyridin-2-ylbenzamide
CID 60617200
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 2873591
4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
CID 17405597
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
ethane;methyl 3-[(3-hydroxy-2-pyridinyl)carbamoyl]-5-nitrobenzoate
CID 143408545

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide (CID 3383086) is 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide is O=C(Nc1ccccn1)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is LKWBGSGLFSWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O4/c24-17(21-15-5-1-3-7-19-15)12-9-13(11-14(10-12)23(26)27)18(25)22-16-6-2-4-8-20-16/h1-11H,(H,19,21,24)(H,20,22,25).
What are the key properties of 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide?
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 363.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 3383086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).