N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide

C14H14N4O4 — CID 122302915

IUPACN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide
SMILESCOc1nc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C14H14N4O4/c1-8-12(9(2)16-14(15-8)22-3)17-13(19)10-6-4-5-7-11(10)18(20)21/h4-7H,1-3H3,(H,17,19)
InChIKeyAUVHRCMENXGQOM-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.26
Rot. Bonds4

About N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide (PubChem CID 122302915) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide
PubChem CID122302915
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide
SMILESCOc1nc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C14H14N4O4/c1-8-12(9(2)16-14(15-8)22-3)17-13(19)10-6-4-5-7-11(10)18(20)21/h4-7H,1-3H3,(H,17,19)
InChIKeyAUVHRCMENXGQOM-UHFFFAOYSA-N
XLogP2.26
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
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

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
N-(6-methylpyridazin-3-yl)-2-nitrobenzamide
CID 176835874
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7193011
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-nitrobenzamide
CID 19407793
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
1-ethyl-3-methyl-4-[(2-nitrobenzoyl)amino]-N-phenylpyrazole-5-carboxamide
CID 10668281
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
methyl 4-methyl-3-[(2-nitrobenzoyl)amino]benzoate
CID 7748739

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide (CID 122302915) is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide is COc1nc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide?
The InChIKey is AUVHRCMENXGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-8-12(9(2)16-14(15-8)22-3)17-13(19)10-6-4-5-7-11(10)18(20)21/h4-7H,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide?
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide has a molecular weight of 302.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide is sourced from PubChem (CID 122302915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).