N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

C24H28N4O3 — CID 155561549

IUPACN-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)COCc3ccccc3)c(C(=O)NC3CCCCC3)n2c1
InChIInChI=1S/C24H28N4O3/c1-17-12-13-20-26-23(27-21(29)16-31-15-18-8-4-2-5-9-18)22(28(20)14-17)24(30)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,30)(H,27,29)
InChIKeyVKRZMBALMVXJOE-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.86
Rot. Bonds7

About N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155561549) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155561549
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)COCc3ccccc3)c(C(=O)NC3CCCCC3)n2c1
InChIInChI=1S/C24H28N4O3/c1-17-12-13-20-26-23(27-21(29)16-31-15-18-8-4-2-5-9-18)22(28(20)14-17)24(30)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,30)(H,27,29)
InChIKeyVKRZMBALMVXJOE-UHFFFAOYSA-N
XLogP3.86
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155561549) is N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)COCc3ccccc3)c(C(=O)NC3CCCCC3)n2c1.
What is the InChIKey of N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VKRZMBALMVXJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-12-13-20-26-23(27-21(29)16-31-15-18-8-4-2-5-9-18)22(28(20)14-17)24(30)25-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,30)(H,27,29).
What are the key properties of N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155561549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).