4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide

C19H13N5O6 — CID 4320566

IUPAC4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13N5O6/c25-18(12-4-8-14(9-5-12)23(27)28)21-16-2-1-3-17(20-16)22-19(26)13-6-10-15(11-7-13)24(29)30/h1-11H,(H2,20,21,22,25,26)
InChIKeyQRLRPEBJLXICLN-UHFFFAOYSA-N
MW407.34 g/mol
LogP3.40
Rot. Bonds6

About 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide

4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide (PubChem CID 4320566) has the molecular formula C19H13N5O6 and a molecular weight of 407.34 g/mol. Its IUPAC name is 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
PubChem CID4320566
Molecular FormulaC19H13N5O6
Molecular Weight407.34 g/mol
Exact Mass407.09
IUPAC Name4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13N5O6/c25-18(12-4-8-14(9-5-12)23(27)28)21-16-2-1-3-17(20-16)22-19(26)13-6-10-15(11-7-13)24(29)30/h1-11H,(H2,20,21,22,25,26)
InChIKeyQRLRPEBJLXICLN-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

4-nitro-N-[6-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157043653
N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide
CID 2798206
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
N-(4-bromo-2-pyridinyl)-4-nitrobenzamide
CID 102674414
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-benzo[cd]indol-2-yl-4-nitrobenzamide
CID 3878556
4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 62239792
4-nitro-N-trimethylsilylbenzamide
CID 12726300
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide (CID 4320566) is 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide is O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
The InChIKey is QRLRPEBJLXICLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O6/c25-18(12-4-8-14(9-5-12)23(27)28)21-16-2-1-3-17(20-16)22-19(26)13-6-10-15(11-7-13)24(29)30/h1-11H,(H2,20,21,22,25,26).
What are the key properties of 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide?
4-nitro-N-[6-[(4-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 4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 4320566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).