2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide

C23H22N4OS — CID 146339380

IUPAC2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide
SMILESCc1c(Nc2csc3cc(CNCC(N)=O)cnc23)cccc1-c1ccccc1
InChIInChI=1S/C23H22N4OS/c1-15-18(17-6-3-2-4-7-17)8-5-9-19(15)27-20-14-29-21-10-16(12-26-23(20)21)11-25-13-22(24)28/h2-10,12,14,25,27H,11,13H2,1H3,(H2,24,28)
InChIKeyUCMIOAXWZZVYKO-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.59
Rot. Bonds7

About 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide

2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide (PubChem CID 146339380) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide
PubChem CID146339380
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide
SMILESCc1c(Nc2csc3cc(CNCC(N)=O)cnc23)cccc1-c1ccccc1
InChIInChI=1S/C23H22N4OS/c1-15-18(17-6-3-2-4-7-17)8-5-9-19(15)27-20-14-29-21-10-16(12-26-23(20)21)11-25-13-22(24)28/h2-10,12,14,25,27H,11,13H2,1H3,(H2,24,28)
InChIKeyUCMIOAXWZZVYKO-UHFFFAOYSA-N
XLogP4.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylaminomethyl)-N-(2-methyl-3-phenylphenyl)-1,7-naphthyridin-8-amine
CID 146304542
2-[[8-[3-[3-[[3-[(2-hydroxyethylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]acetic acid
CID 139573258
3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240355
2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
CID 146339448
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol
CID 129137930
methyl 1-[[4-(2-methyl-3-phenylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]piperidine-2-carboxylate
CID 129244905
(2R)-3-hydroxy-2-[[2-(2-methyl-3-phenylanilino)-6-oxo-1H-pyrimidin-4-yl]methylamino]propanoic acid
CID 169101446
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
CID 91671167
4-[8-[3-[3-[[3-[(1-carboxyethylamino)methyl]-1,7-naphthyridin-8-yl]methyl]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]-2-methylbutanoic acid
CID 161102306
2-[[2-(3,4-dimethylphenyl)phenyl]methylamino]acetamide
CID 19105302

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide (CID 146339380) is 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide is Cc1c(Nc2csc3cc(CNCC(N)=O)cnc23)cccc1-c1ccccc1.
What is the InChIKey of 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide?
The InChIKey is UCMIOAXWZZVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-15-18(17-6-3-2-4-7-17)8-5-9-19(15)27-20-14-29-21-10-16(12-26-23(20)21)11-25-13-22(24)28/h2-10,12,14,25,27H,11,13H2,1H3,(H2,24,28).
What are the key properties of 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide?
2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide has a molecular weight of 402.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide is sourced from PubChem (CID 146339380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).