2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C18H18N4O4 — CID 134154995

IUPAC2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCCOc3cccc([N+](=O)[O-])c3)c(C)nc2c1
InChIInChI=1S/C18H18N4O4/c1-12-6-8-21-16(10-12)20-13(2)17(21)18(23)19-7-9-26-15-5-3-4-14(11-15)22(24)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,23)
InChIKeyQCZJOCLBZYEOBP-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.67
Rot. Bonds6

About 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134154995) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID134154995
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCCOc3cccc([N+](=O)[O-])c3)c(C)nc2c1
InChIInChI=1S/C18H18N4O4/c1-12-6-8-21-16(10-12)20-13(2)17(21)18(23)19-7-9-26-15-5-3-4-14(11-15)22(24)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,23)
InChIKeyQCZJOCLBZYEOBP-UHFFFAOYSA-N
XLogP2.67
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134140165
tert-butyl N-[2-(3-nitrophenoxy)ethyl]carbamate
CID 21077618
2,7-dimethyl-N-[[4-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163297343
N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide
CID 44764822
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 43017529
4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one
CID 75484382
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
N-[3-(furan-2-yl)propyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 56759259
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
CID 42694070
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
2,7-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 137001767
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 119062037

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 134154995) is 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCCOc3cccc([N+](=O)[O-])c3)c(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QCZJOCLBZYEOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-12-6-8-21-16(10-12)20-13(2)17(21)18(23)19-7-9-26-15-5-3-4-14(11-15)22(24)25/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,23).
What are the key properties of 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134154995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).