4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide

C21H24N4O2 — CID 72699526

IUPAC4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)c1ccc(C(=O)NCc2ccc3nccn3c2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)9-10-23-20(26)17-4-6-18(7-5-17)21(27)24-13-16-3-8-19-22-11-12-25(19)14-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUYMIYCMQGRZIOO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.04
Rot. Bonds7

About 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide

4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide (PubChem CID 72699526) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
PubChem CID72699526
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)c1ccc(C(=O)NCc2ccc3nccn3c2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)9-10-23-20(26)17-4-6-18(7-5-17)21(27)24-13-16-3-8-19-22-11-12-25(19)14-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUYMIYCMQGRZIOO-UHFFFAOYSA-N
XLogP3.04
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide with MolForge

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Related Compounds

N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704012
2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86701931
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963
4-[(3-chlorophenyl)sulfamoyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 56928346
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
(2R)-2-(imidazo[1,2-a]pyridine-6-carbonylamino)-4-methylpentanoic acid
CID 119363473
4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 56928452

Frequently Asked Questions

What is the IUPAC name of 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide (CID 72699526) is 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide is CC(C)CCNC(=O)c1ccc(C(=O)NCc2ccc3nccn3c2)cc1.
What is the InChIKey of 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide?
The InChIKey is UYMIYCMQGRZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)9-10-23-20(26)17-4-6-18(7-5-17)21(27)24-13-16-3-8-19-22-11-12-25(19)14-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide?
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 72699526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).