N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide

C27H29N5O2S — CID 46944084

IUPACN-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCSc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc1
InChIInChI=1S/C27H29N5O2S/c1-4-35-23-10-8-19(9-11-23)22-15-24(30-18-33)26-29-16-25(32(26)17-22)20-6-5-7-21(14-20)27(34)28-12-13-31(2)3/h5-11,14-18H,4,12-13H2,1-3H3,(H,28,34)(H,30,33)
InChIKeyFDJLPSYPQBUVEW-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.64
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 46944084) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID46944084
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCSc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc1
InChIInChI=1S/C27H29N5O2S/c1-4-35-23-10-8-19(9-11-23)22-15-24(30-18-33)26-29-16-25(32(26)17-22)20-6-5-7-21(14-20)27(34)28-12-13-31(2)3/h5-11,14-18H,4,12-13H2,1-3H3,(H,28,34)(H,30,33)
InChIKeyFDJLPSYPQBUVEW-UHFFFAOYSA-N
XLogP4.64
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzamide
CID 20823952
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 875011
5-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyrimidine-2,4(1H,3H)-dione
CID 24889346
N-(2-((dimethylamino)methyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45267561
N-(2-((N-methylacetamido)methyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45270139
N-(2-propylimidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45271908
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45273703
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 46942855

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide (CID 46944084) is N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide is CCSc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is FDJLPSYPQBUVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-4-35-23-10-8-19(9-11-23)22-15-24(30-18-33)26-29-16-25(32(26)17-22)20-6-5-7-21(14-20)27(34)28-12-13-31(2)3/h5-11,14-18H,4,12-13H2,1-3H3,(H,28,34)(H,30,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 487.63 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[6-(4-ethylsulfanylphenyl)-8-formamidoimidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 46944084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).