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

C17H17N5O — CID 10402952

IUPACN-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3cccnc3)c(C)[nH]2)cc1N
InChIInChI=1S/C17H17N5O/c1-10-16(13-4-3-7-19-9-13)22-17(20-10)12-5-6-15(14(18)8-12)21-11(2)23/h3-9H,18H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIKWNBUGJBJJVJH-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.99
Rot. Bonds3

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

N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide (PubChem CID 10402952) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
PubChem CID10402952
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3cccnc3)c(C)[nH]2)cc1N
InChIInChI=1S/C17H17N5O/c1-10-16(13-4-3-7-19-9-13)22-17(20-10)12-5-6-15(14(18)8-12)21-11(2)23/h3-9H,18H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIKWNBUGJBJJVJH-UHFFFAOYSA-N
XLogP2.99
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide
CID 10360581
N-[3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10064728
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203
N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
CID 10314435
N-(6-oxo-2-phenyl-4-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 136815026
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
CID 67289423
5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide
CID 68635306
N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide
CID 14211423
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline
CID 10016509
2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 70069654

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide (CID 10402952) is N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(-c3cccnc3)c(C)[nH]2)cc1N.
What is the InChIKey of N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide?
The InChIKey is IKWNBUGJBJJVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10-16(13-4-3-7-19-9-13)22-17(20-10)12-5-6-15(14(18)8-12)21-11(2)23/h3-9H,18H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide?
N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 10402952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).