2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C19H25N3OS — CID 162421350

IUPAC2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCc1cccc([C@H]2c3ccsc3CCN2C(=O)CNCC(C)C)n1
InChIInChI=1S/C19H25N3OS/c1-13(2)11-20-12-18(23)22-9-7-17-15(8-10-24-17)19(22)16-6-4-5-14(3)21-16/h4-6,8,10,13,19-20H,7,9,11-12H2,1-3H3/t19-/m1/s1
InChIKeyOVUGAMKQXDOHDJ-LJQANCHMSA-N
MW343.50 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 162421350) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID162421350
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCc1cccc([C@H]2c3ccsc3CCN2C(=O)CNCC(C)C)n1
InChIInChI=1S/C19H25N3OS/c1-13(2)11-20-12-18(23)22-9-7-17-15(8-10-24-17)19(22)16-6-4-5-14(3)21-16/h4-6,8,10,13,19-20H,7,9,11-12H2,1-3H3/t19-/m1/s1
InChIKeyOVUGAMKQXDOHDJ-LJQANCHMSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone
CID 3644317
2-(ethylamino)-1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7271417
2-[[(2S)-butan-2-yl]amino]-1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283552
1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
CID 7360793
1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
CID 7360795
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7495269
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208
2-(cyclohexylamino)-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7397531
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 7249091
1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 3430392
2-(3-ethoxypropylamino)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 42773661
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-methoxypropylamino)ethanone
CID 3390312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 162421350) is 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is Cc1cccc([C@H]2c3ccsc3CCN2C(=O)CNCC(C)C)n1.
What is the InChIKey of 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is OVUGAMKQXDOHDJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13(2)11-20-12-18(23)22-9-7-17-15(8-10-24-17)19(22)16-6-4-5-14(3)21-16/h4-6,8,10,13,19-20H,7,9,11-12H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 343.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 162421350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).