6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H30N4O2S — CID 118765062

IUPAC6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1noc(C)c1CN1CCc2c(C(=O)N(C)C3CCN(C)CC3)csc2C1
InChIInChI=1S/C21H30N4O2S/c1-14-18(15(2)27-22-14)11-25-10-7-17-19(13-28-20(17)12-25)21(26)24(4)16-5-8-23(3)9-6-16/h13,16H,5-12H2,1-4H3
InChIKeyMNHKOJVMTCDAGL-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.08
Rot. Bonds4

About 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118765062) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118765062
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1noc(C)c1CN1CCc2c(C(=O)N(C)C3CCN(C)CC3)csc2C1
InChIInChI=1S/C21H30N4O2S/c1-14-18(15(2)27-22-14)11-25-10-7-17-19(13-28-20(17)12-25)21(26)24(4)16-5-8-23(3)9-6-16/h13,16H,5-12H2,1-4H3
InChIKeyMNHKOJVMTCDAGL-UHFFFAOYSA-N
XLogP3.08
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-amino-1-oxobutan-2-yl]-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126434514
N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795787
N-[(2S)-4-amino-4-oxobutan-2-yl]-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126423746
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2R)-2-hydroxy-3-methoxypropyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126442887
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118784679
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 118770175
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794357
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 126438653
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118770407
N-butan-2-yl-N-but-2-enyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171134446
N-[(3R)-1-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 126431122
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118788721

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118765062) is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C3CCN(C)CC3)csc2C1.
What is the InChIKey of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is MNHKOJVMTCDAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-14-18(15(2)27-22-14)11-25-10-7-17-19(13-28-20(17)12-25)21(26)24(4)16-5-8-23(3)9-6-16/h13,16H,5-12H2,1-4H3.
What are the key properties of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118765062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).