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

C22H24N4O2S — CID 155560149

IUPACN-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CSc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1
InChIInChI=1S/C22H24N4O2S/c27-19(15-29-17-11-5-2-6-12-17)25-21-20(26-14-8-7-13-18(26)24-21)22(28)23-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,28)(H,25,27)
InChIKeyZZAVFJBPMVNKQJ-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.13
Rot. Bonds6

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

N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155560149) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155560149
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CSc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1
InChIInChI=1S/C22H24N4O2S/c27-19(15-29-17-11-5-2-6-12-17)25-21-20(26-14-8-7-13-18(26)24-21)22(28)23-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,28)(H,25,27)
InChIKeyZZAVFJBPMVNKQJ-UHFFFAOYSA-N
XLogP4.13
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.13
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-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155560149) is N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is O=C(CSc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZZAVFJBPMVNKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c27-19(15-29-17-11-5-2-6-12-17)25-21-20(26-14-8-7-13-18(26)24-21)22(28)23-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,28)(H,25,27).
What are the key properties of N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155560149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).