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

C23H26N4O3 — CID 155559758

IUPACN-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(COCc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1
InChIInChI=1S/C23H26N4O3/c28-20(16-30-15-17-9-3-1-4-10-17)26-22-21(27-14-8-7-13-19(27)25-22)23(29)24-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,24,29)(H,26,28)
InChIKeyGIGYREOANHIVJQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.55
Rot. Bonds7

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

N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155559758) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155559758
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(COCc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1
InChIInChI=1S/C23H26N4O3/c28-20(16-30-15-17-9-3-1-4-10-17)26-22-21(27-14-8-7-13-19(27)25-22)23(29)24-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,24,29)(H,26,28)
InChIKeyGIGYREOANHIVJQ-UHFFFAOYSA-N
XLogP3.55
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155559758) is N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is O=C(COCc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GIGYREOANHIVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-20(16-30-15-17-9-3-1-4-10-17)26-22-21(27-14-8-7-13-19(27)25-22)23(29)24-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,24,29)(H,26,28).
What are the key properties of N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-phenylmethoxyacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155559758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).