N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide

C20H16N4O6 — CID 108732482

IUPACN-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1c(C(=O)N(Cc2ccccn2)c2ccccc2O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N4O6/c1-13-16(10-15(23(27)28)11-18(13)24(29)30)20(26)22(12-14-6-4-5-9-21-14)17-7-2-3-8-19(17)25/h2-11,25H,12H2,1H3
InChIKeyQGTFDPFICONGRA-UHFFFAOYSA-N
MW408.37 g/mol
LogP3.76
Rot. Bonds6

About N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide

N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 108732482) has the molecular formula C20H16N4O6 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID108732482
Molecular FormulaC20H16N4O6
Molecular Weight408.37 g/mol
Exact Mass408.11
IUPAC NameN-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1c(C(=O)N(Cc2ccccn2)c2ccccc2O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N4O6/c1-13-16(10-15(23(27)28)11-18(13)24(29)30)20(26)22(12-14-6-4-5-9-21-14)17-7-2-3-8-19(17)25/h2-11,25H,12H2,1H3
InChIKeyQGTFDPFICONGRA-UHFFFAOYSA-N
XLogP3.76
TPSA139.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
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 N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide (CID 108732482) is N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide is Cc1c(C(=O)N(Cc2ccccn2)c2ccccc2O)cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QGTFDPFICONGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O6/c1-13-16(10-15(23(27)28)11-18(13)24(29)30)20(26)22(12-14-6-4-5-9-21-14)17-7-2-3-8-19(17)25/h2-11,25H,12H2,1H3.
What are the key properties of N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide?
N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 408.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 108732482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).