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

C22H26N4O2S — CID 126454441

IUPAC6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1cccnc1[C@H](C)NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C22H26N4O2S/c1-13-6-5-8-23-21(13)15(3)24-22(27)19-12-29-20-11-26(9-7-17(19)20)10-18-14(2)25-28-16(18)4/h5-6,8,12,15H,7,9-11H2,1-4H3,(H,24,27)/t15-/m0/s1
InChIKeyKHKZTQAMXWUIDS-HNNXBMFYSA-N
MW410.54 g/mol
LogP4.11
Rot. Bonds5

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

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 126454441) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-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-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID126454441
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1cccnc1[C@H](C)NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C22H26N4O2S/c1-13-6-5-8-23-21(13)15(3)24-22(27)19-12-29-20-11-26(9-7-17(19)20)10-18-14(2)25-28-16(18)4/h5-6,8,12,15H,7,9-11H2,1-4H3,(H,24,27)/t15-/m0/s1
InChIKeyKHKZTQAMXWUIDS-HNNXBMFYSA-N
XLogP4.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794354
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2S)-1-methoxypropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118782235
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2R)-hexan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118789257
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118766521
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
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-pyridin-3-ylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795473
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]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118788721
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-oxopiperidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765255
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118777469
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 119065607
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118762959

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-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-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 126454441) is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-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-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-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-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is Cc1cccnc1[C@H](C)NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2.
What is the InChIKey of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is KHKZTQAMXWUIDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-13-6-5-8-23-21(13)15(3)24-22(27)19-12-29-20-11-26(9-7-17(19)20)10-18-14(2)25-28-16(18)4/h5-6,8,12,15H,7,9-11H2,1-4H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 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-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 126454441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).