aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H20N6O2 — CID 144545364

IUPACaniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2n[nH]o2)cc1NC(=O)c1cnc2ccccn12.Nc1ccccc1
InChIInChI=1S/C16H13N5O2.C6H7N/c1-10-5-6-11(16-19-20-23-16)8-12(10)18-15(22)13-9-17-14-4-2-3-7-21(13)14;7-6-4-2-1-3-5-6/h2-9,20H,1H3,(H,18,22);1-5H,7H2
InChIKeyXZXRUGASBTWNHZ-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.15
Rot. Bonds3

About aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144545364) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Nameaniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID144545364
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Nameaniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2n[nH]o2)cc1NC(=O)c1cnc2ccccn12.Nc1ccccc1
InChIInChI=1S/C16H13N5O2.C6H7N/c1-10-5-6-11(16-19-20-23-16)8-12(10)18-15(22)13-9-17-14-4-2-3-7-21(13)14;7-6-4-2-1-3-5-6/h2-9,20H,1H3,(H,18,22);1-5H,7H2
InChIKeyXZXRUGASBTWNHZ-UHFFFAOYSA-N
XLogP4.15
TPSA114.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281639
N-[2-methyl-5-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281735
N-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282403
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634
N-[5-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176617365
N-[5-[3-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281727
N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281713
N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291286
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291760

Frequently Asked Questions

What is the IUPAC name of aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 144545364) is aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2n[nH]o2)cc1NC(=O)c1cnc2ccccn12.Nc1ccccc1.
What is the InChIKey of aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XZXRUGASBTWNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2.C6H7N/c1-10-5-6-11(16-19-20-23-16)8-12(10)18-15(22)13-9-17-14-4-2-3-7-21(13)14;7-6-4-2-1-3-5-6/h2-9,20H,1H3,(H,18,22);1-5H,7H2.
What are the key properties of aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;N-[2-methyl-5-(2H-oxadiazet-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144545364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).