3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide

C19H13N5O6 — CID 4141687

IUPAC3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13N5O6/c25-18(12-3-1-5-14(9-12)23(27)28)21-16-7-8-20-11-17(16)22-19(26)13-4-2-6-15(10-13)24(29)30/h1-11H,(H,22,26)(H,20,21,25)
InChIKeyOMENASLIJPIDPC-UHFFFAOYSA-N
MW407.34 g/mol
LogP3.40
Rot. Bonds6

About 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide

3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide (PubChem CID 4141687) has the molecular formula C19H13N5O6 and a molecular weight of 407.34 g/mol. Its IUPAC name is 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide
PubChem CID4141687
Molecular FormulaC19H13N5O6
Molecular Weight407.34 g/mol
Exact Mass407.09
IUPAC Name3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13N5O6/c25-18(12-3-1-5-14(9-12)23(27)28)21-16-7-8-20-11-17(16)22-19(26)13-4-2-6-15(10-13)24(29)30/h1-11H,(H,22,26)(H,20,21,25)
InChIKeyOMENASLIJPIDPC-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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Related Compounds

CID 2777391
CID 2777391
CID 78893
CID 78893
CID 83332
CID 83332
CID 676069
CID 676069
CID 5340499
CID 5340499
CID 2906793
CID 2906793
CID 118987449
CID 118987449
CID 679747
CID 679747
CID 765306
CID 765306
CID 44571803
CID 44571803
CID 5340771
CID 5340771
CID 5409139
CID 5409139

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide?
The IUPAC name of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide (CID 4141687) is 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide?
The canonical SMILES for 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide is O=C(Nc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide?
The InChIKey is OMENASLIJPIDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O6/c25-18(12-3-1-5-14(9-12)23(27)28)21-16-7-8-20-11-17(16)22-19(26)13-4-2-6-15(10-13)24(29)30/h1-11H,(H,22,26)(H,20,21,25).
What are the key properties of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide?
3-nitro-N-[3-[(3-nitrobenzoyl)amino]-4-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-[3-[(3-nitrobenzoyl)amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 4141687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).