N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C14H16N4O2S — CID 110133362

IUPACN-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccsc2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C14H16N4O2S/c19-13-8-18(6-10-1-4-21-9-10)7-12(13)17-14(20)11-5-15-2-3-16-11/h1-5,9,12-13,19H,6-8H2,(H,17,20)/t12-,13-/m1/s1
InChIKeyOUXQSQZPMPMQJQ-CHWSQXEVSA-N
MW304.38 g/mol
LogP0.51
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 110133362) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID110133362
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccsc2)C[C@H]1O)c1cnccn1
InChIInChI=1S/C14H16N4O2S/c19-13-8-18(6-10-1-4-21-9-10)7-12(13)17-14(20)11-5-15-2-3-16-11/h1-5,9,12-13,19H,6-8H2,(H,17,20)/t12-,13-/m1/s1
InChIKeyOUXQSQZPMPMQJQ-CHWSQXEVSA-N
XLogP0.51
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133335
N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133360
N-[(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133376
N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 70765365
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
[(3aS,7aR)-2-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone
CID 124916102
N-[(3S,3aS,7aS)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171672488
N-[[(3R,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155853274
N-[(3R,4R)-4-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133380
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133407

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 110133362) is N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CN(Cc2ccsc2)C[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is OUXQSQZPMPMQJQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-13-8-18(6-10-1-4-21-9-10)7-12(13)17-14(20)11-5-15-2-3-16-11/h1-5,9,12-13,19H,6-8H2,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 110133362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).