N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide

C23H30N4O2 — CID 46944028

IUPACN-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCNC(=O)c1ccc2nc(CC)c(N(C)Cc3ccc(OC)cc3)n2c1
InChIInChI=1S/C23H30N4O2/c1-5-7-14-24-22(28)18-10-13-21-25-20(6-2)23(27(21)16-18)26(3)15-17-8-11-19(29-4)12-9-17/h8-13,16H,5-7,14-15H2,1-4H3,(H,24,28)
InChIKeyNOTWKSOIFCDKND-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.07
Rot. Bonds9

About N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide

N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46944028) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46944028
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCNC(=O)c1ccc2nc(CC)c(N(C)Cc3ccc(OC)cc3)n2c1
InChIInChI=1S/C23H30N4O2/c1-5-7-14-24-22(28)18-10-13-21-25-20(6-2)23(27(21)16-18)26(3)15-17-8-11-19(29-4)12-9-17/h8-13,16H,5-7,14-15H2,1-4H3,(H,24,28)
InChIKeyNOTWKSOIFCDKND-UHFFFAOYSA-N
XLogP4.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46944028) is N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide is CCCCNC(=O)c1ccc2nc(CC)c(N(C)Cc3ccc(OC)cc3)n2c1.
What is the InChIKey of N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NOTWKSOIFCDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-7-14-24-22(28)18-10-13-21-25-20(6-2)23(27(21)16-18)26(3)15-17-8-11-19(29-4)12-9-17/h8-13,16H,5-7,14-15H2,1-4H3,(H,24,28).
What are the key properties of N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46944028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).