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

C22H26N4O2S — CID 118795473

IUPAC6-[(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
SMILESCc1noc(C)c1CN1CCc2c(C(=O)NCCCc3cccnc3)csc2C1
InChIInChI=1S/C22H26N4O2S/c1-15-19(16(2)28-25-15)12-26-10-7-18-20(14-29-21(18)13-26)22(27)24-9-4-6-17-5-3-8-23-11-17/h3,5,8,11,14H,4,6-7,9-10,12-13H2,1-2H3,(H,24,27)
InChIKeyRGJBADMXQYQJAH-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.67
Rot. Bonds7

About 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

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 (PubChem CID 118795473) 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-(3-pyridin-3-ylpropyl)-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-(3-pyridin-3-ylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118795473
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name6-[(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
SMILESCc1noc(C)c1CN1CCc2c(C(=O)NCCCc3cccnc3)csc2C1
InChIInChI=1S/C22H26N4O2S/c1-15-19(16(2)28-25-15)12-26-10-7-18-20(14-29-21(18)13-26)22(27)24-9-4-6-17-5-3-8-23-11-17/h3,5,8,11,14H,4,6-7,9-10,12-13H2,1-2H3,(H,24,27)
InChIKeyRGJBADMXQYQJAH-UHFFFAOYSA-N
XLogP3.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118784679
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-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126454441
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
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-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]-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-(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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN1CCc2c(C(=O)NCCCc3cccnc3)csc2C1.
What is the InChIKey of 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?
The InChIKey is RGJBADMXQYQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-19(16(2)28-25-15)12-26-10-7-18-20(14-29-21(18)13-26)22(27)24-9-4-6-17-5-3-8-23-11-17/h3,5,8,11,14H,4,6-7,9-10,12-13H2,1-2H3,(H,24,27).
What are the key properties of 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?
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 has a molecular weight of 410.54 g/mol, XLogP of 3.67, 7 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-(3-pyridin-3-ylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118795473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).