3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide

C19H13N5O6 — CID 3094026

IUPAC3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13N5O6/c25-18(12-4-1-6-14(10-12)23(27)28)21-16-8-3-9-17(20-16)22-19(26)13-5-2-7-15(11-13)24(29)30/h1-11H,(H2,20,21,22,25,26)
InChIKeyOCBJUXPDNLHGKD-UHFFFAOYSA-N
MW407.34 g/mol
LogP3.40
Rot. Bonds6

About 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide

3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide (PubChem CID 3094026) has the molecular formula C19H13N5O6 and a molecular weight of 407.34 g/mol. Its IUPAC name is 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide
PubChem CID3094026
Molecular FormulaC19H13N5O6
Molecular Weight407.34 g/mol
Exact Mass407.09
IUPAC Name3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13N5O6/c25-18(12-4-1-6-14(10-12)23(27)28)21-16-8-3-9-17(20-16)22-19(26)13-5-2-7-15(11-13)24(29)30/h1-11H,(H2,20,21,22,25,26)
InChIKeyOCBJUXPDNLHGKD-UHFFFAOYSA-N
XLogP3.40
TPSA157.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide (CID 3094026) is 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide is O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
The InChIKey is OCBJUXPDNLHGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O6/c25-18(12-4-1-6-14(10-12)23(27)28)21-16-8-3-9-17(20-16)22-19(26)13-5-2-7-15(11-13)24(29)30/h1-11H,(H2,20,21,22,25,26).
What are the key properties of 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide has a molecular weight of 407.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[6-[(3-nitrobenzoyl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 3094026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).