2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide

C22H24N4OS — CID 133316958

IUPAC2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C22H24N4OS/c1-23-22(27)18-8-5-11-24-21(18)25-14-19(16-6-3-2-4-7-16)26-12-9-20-17(15-26)10-13-28-20/h2-8,10-11,13,19H,9,12,14-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyDREXPBVDVGJEAE-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.71
Rot. Bonds6

About 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide

2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 133316958) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID133316958
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C22H24N4OS/c1-23-22(27)18-8-5-11-24-21(18)25-14-19(16-6-3-2-4-7-16)26-12-9-20-17(15-26)10-13-28-20/h2-8,10-11,13,19H,9,12,14-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyDREXPBVDVGJEAE-UHFFFAOYSA-N
XLogP3.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2,3-dimethylguanidine
CID 47092705
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
N-[2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112826543
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-pyridinyl]methanone
CID 62171688
methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide
CID 120703810
2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
CID 133319504
3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide
CID 51950048
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 62171689
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-N-methylbenzamide
CID 41395624
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110925611
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703809

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide (CID 133316958) is 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCC(c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is DREXPBVDVGJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-23-22(27)18-8-5-11-24-21(18)25-14-19(16-6-3-2-4-7-16)26-12-9-20-17(15-26)10-13-28-20/h2-8,10-11,13,19H,9,12,14-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide?
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133316958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).