N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C21H28N4O3S — CID 135194069

IUPACN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2n(c1C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCCC2
InChIInChI=1S/C21H28N4O3S/c1-2-18-20(25-10-4-3-5-19(25)23-18)21(26)22-15-16-6-8-17(9-7-16)24-11-13-29(27,28)14-12-24/h6-9H,2-5,10-15H2,1H3,(H,22,26)
InChIKeyMXJIHCXDTQNOKQ-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.95
Rot. Bonds5

About N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135194069) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID135194069
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2n(c1C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCCC2
InChIInChI=1S/C21H28N4O3S/c1-2-18-20(25-10-4-3-5-19(25)23-18)21(26)22-15-16-6-8-17(9-7-16)24-11-13-29(27,28)14-12-24/h6-9H,2-5,10-15H2,1H3,(H,22,26)
InChIKeyMXJIHCXDTQNOKQ-UHFFFAOYSA-N
XLogP1.95
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 162158551
8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442236
7-chloro-N-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90683102
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68769480
8-chloro-2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90479944
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]thiohydroxylamine
CID 167295048
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-8-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 90480210
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
8-chloro-N-[[4-[4-[4-(difluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 144782694
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442204
2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82123794

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 135194069) is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2n(c1C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CCCC2.
What is the InChIKey of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MXJIHCXDTQNOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-2-18-20(25-10-4-3-5-19(25)23-18)21(26)22-15-16-6-8-17(9-7-16)24-11-13-29(27,28)14-12-24/h6-9H,2-5,10-15H2,1H3,(H,22,26).
What are the key properties of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135194069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).