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

C22H31N3O2S — CID 171134446

IUPACN-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
SMILESCC=CCN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C(C)CC
InChIInChI=1S/C22H31N3O2S/c1-6-8-10-25(15(3)7-2)22(26)20-14-28-21-13-24(11-9-18(20)21)12-19-16(4)23-27-17(19)5/h6,8,14-15H,7,9-13H2,1-5H3
InChIKeyZOOWLTVNBFEZEU-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.73
Rot. Bonds7

About 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

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 (PubChem CID 171134446) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID171134446
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN-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
SMILESCC=CCN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C(C)CC
InChIInChI=1S/C22H31N3O2S/c1-6-8-10-25(15(3)7-2)22(26)20-14-28-21-13-24(11-9-18(20)21)12-19-16(4)23-27-17(19)5/h6,8,14-15H,7,9-13H2,1-5H3
InChIKeyZOOWLTVNBFEZEU-UHFFFAOYSA-N
XLogP4.73
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 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-[(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)-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-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765062
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-(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-(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-[(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]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 118770175
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC=CCN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C(C)CC.
What is the InChIKey of 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?
The InChIKey is ZOOWLTVNBFEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-6-8-10-25(15(3)7-2)22(26)20-14-28-21-13-24(11-9-18(20)21)12-19-16(4)23-27-17(19)5/h6,8,14-15H,7,9-13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 401.58 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171134446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).