N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide

C18H17N5O3 — CID 10360581

IUPACN-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2nc(-c3cccnc3)c(C)[nH]2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N5O3/c1-10-7-15(21-12(3)24)16(23(25)26)8-14(10)18-20-11(2)17(22-18)13-5-4-6-19-9-13/h4-9H,1-3H3,(H,20,22)(H,21,24)
InChIKeyXBLLMJMAZGQBGO-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.62
Rot. Bonds4

About N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide

N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide (PubChem CID 10360581) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide
PubChem CID10360581
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2nc(-c3cccnc3)c(C)[nH]2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N5O3/c1-10-7-15(21-12(3)24)16(23(25)26)8-14(10)18-20-11(2)17(22-18)13-5-4-6-19-9-13/h4-9H,1-3H3,(H,20,22)(H,21,24)
InChIKeyXBLLMJMAZGQBGO-UHFFFAOYSA-N
XLogP3.62
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10402952
N-[3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10064728
N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
CID 10314435
methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate
CID 10362265
N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide
CID 14211423
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203
3-[5-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 43826489
3-[5-methyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]pyridine
CID 174532119
6-methyl-3-nitro-2-pyridin-3-ylpyridine
CID 46316012
N-(6-oxo-2-phenyl-4-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 136815026
3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline
CID 10016509
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide?
The IUPAC name of N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide (CID 10360581) is N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide?
The canonical SMILES for N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide is CC(=O)Nc1cc(C)c(-c2nc(-c3cccnc3)c(C)[nH]2)cc1[N+](=O)[O-].
What is the InChIKey of N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide?
The InChIKey is XBLLMJMAZGQBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10-7-15(21-12(3)24)16(23(25)26)8-14(10)18-20-11(2)17(22-18)13-5-4-6-19-9-13/h4-9H,1-3H3,(H,20,22)(H,21,24).
What are the key properties of N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide?
N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide is sourced from PubChem (CID 10360581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).