8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C26H29N5O2S — CID 118168520

IUPAC8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(NC4CCCCC4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1
InChIInChI=1S/C26H29N5O2S/c1-17-8-10-19(15-31(17)33)13-28-26(32)20-12-22(29-21-6-4-3-5-7-21)25-27-14-23(30(25)16-20)24-11-9-18(2)34-24/h8-12,14-16,21,29H,3-7,13H2,1-2H3,(H,28,32)
InChIKeySBWMBRDZOADONO-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.99
Rot. Bonds6

About 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168520) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168520
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(NC4CCCCC4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1
InChIInChI=1S/C26H29N5O2S/c1-17-8-10-19(15-31(17)33)13-28-26(32)20-12-22(29-21-6-4-3-5-7-21)25-27-14-23(30(25)16-20)24-11-9-18(2)34-24/h8-12,14-16,21,29H,3-7,13H2,1-2H3,(H,28,32)
InChIKeySBWMBRDZOADONO-UHFFFAOYSA-N
XLogP4.99
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168520) is 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2cnc3c(NC4CCCCC4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1.
What is the InChIKey of 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is SBWMBRDZOADONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-17-8-10-19(15-31(17)33)13-28-26(32)20-12-22(29-21-6-4-3-5-7-21)25-27-14-23(30(25)16-20)24-11-9-18(2)34-24/h8-12,14-16,21,29H,3-7,13H2,1-2H3,(H,28,32).
What are the key properties of 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).