(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

C15H18N4O3S — CID 100612439

IUPAC(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)NCc2cccs2)C1
InChIInChI=1S/C15H18N4O3S/c1-21-13-14(17-6-5-16-13)22-11-4-7-19(10-11)15(20)18-9-12-3-2-8-23-12/h2-3,5-6,8,11H,4,7,9-10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyWGEXGJOPZXKUFC-NSHDSACASA-N
MW334.40 g/mol
LogP1.91
Rot. Bonds5

About (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 100612439) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID100612439
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)NCc2cccs2)C1
InChIInChI=1S/C15H18N4O3S/c1-21-13-14(17-6-5-16-13)22-11-4-7-19(10-11)15(20)18-9-12-3-2-8-23-12/h2-3,5-6,8,11H,4,7,9-10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyWGEXGJOPZXKUFC-NSHDSACASA-N
XLogP1.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71799517
3-pyrazin-2-yloxy-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 91627924
(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100637128
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (CID 100612439) is (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is COc1nccnc1O[C@H]1CCN(C(=O)NCc2cccs2)C1.
What is the InChIKey of (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is WGEXGJOPZXKUFC-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-21-13-14(17-6-5-16-13)22-11-4-7-19(10-11)15(20)18-9-12-3-2-8-23-12/h2-3,5-6,8,11H,4,7,9-10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 100612439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).