N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide

C18H17N5O2 — CID 37064847

IUPACN-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(-n3ccnc3)nc2)c1C
InChIInChI=1S/C18H17N5O2/c1-12-15(21-13(2)24)4-3-5-16(12)22-18(25)14-6-7-17(20-10-14)23-9-8-19-11-23/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyAKGUTUUVYZLTDF-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.79
Rot. Bonds4

About N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 37064847) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID37064847
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(-n3ccnc3)nc2)c1C
InChIInChI=1S/C18H17N5O2/c1-12-15(21-13(2)24)4-3-5-16(12)22-18(25)14-6-7-17(20-10-14)23-9-8-19-11-23/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyAKGUTUUVYZLTDF-UHFFFAOYSA-N
XLogP2.79
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 35374886
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
6-imidazol-1-yl-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 35375174
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
4-acetamido-N-(3-acetamido-2-methylphenyl)benzamide
CID 134019280
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide
CID 24665445
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 33427699
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
6-imidazol-1-yl-N-pyrazolo[1,5-a]pyrimidin-7-ylpyridine-3-carboxamide
CID 146121645

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 37064847) is N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(-n3ccnc3)nc2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is AKGUTUUVYZLTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-15(21-13(2)24)4-3-5-16(12)22-18(25)14-6-7-17(20-10-14)23-9-8-19-11-23/h3-11H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 37064847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).