5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C18H25N3O3S — CID 97112365

IUPAC5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C2
InChIInChI=1S/C18H25N3O3S/c1-18(2,3)21-10-12(8-15(21)22)17(24)20-6-5-13-11(9-20)7-14(25-13)16(23)19-4/h7,12H,5-6,8-10H2,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeyBLZJGZMXLMYLSP-GFCCVEGCSA-N
MW363.48 g/mol
LogP1.64
Rot. Bonds2

About 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 97112365) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID97112365
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C2
InChIInChI=1S/C18H25N3O3S/c1-18(2,3)21-10-12(8-15(21)22)17(24)20-6-5-13-11(9-20)7-14(25-13)16(23)19-4/h7,12H,5-6,8-10H2,1-4H3,(H,19,23)/t12-/m1/s1
InChIKeyBLZJGZMXLMYLSP-GFCCVEGCSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97208038
5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97119910
5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 72887758
5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97148888
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 145343301
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
ethane;N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 145343300
4-[4-(3-bromobenzoyl)piperazine-1-carbonyl]-1-tert-butylpyrrolidin-2-one
CID 108534461
5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158808
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
1-tert-butyl-4-[4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546247

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 97112365) is 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C2.
What is the InChIKey of 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is BLZJGZMXLMYLSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-18(2,3)21-10-12(8-15(21)22)17(24)20-6-5-13-11(9-20)7-14(25-13)16(23)19-4/h7,12H,5-6,8-10H2,1-4H3,(H,19,23)/t12-/m1/s1.
What are the key properties of 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 97112365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).