N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide

C16H20N4O2S — CID 110123769

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C16H20N4O2S/c21-15(4-3-13-2-1-9-23-13)19-11-16(22)5-8-20(12-16)14-10-17-6-7-18-14/h1-2,6-7,9-10,22H,3-5,8,11-12H2,(H,19,21)
InChIKeyICUWSNXXYCTILD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.23
Rot. Bonds6

About N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110123769) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID110123769
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C16H20N4O2S/c21-15(4-3-13-2-1-9-23-13)19-11-16(22)5-8-20(12-16)14-10-17-6-7-18-14/h1-2,6-7,9-10,22H,3-5,8,11-12H2,(H,19,21)
InChIKeyICUWSNXXYCTILD-UHFFFAOYSA-N
XLogP1.23
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124983232
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124940666
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 125007177
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
CID 125017904
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110123752
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 124942401
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 124999254

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide (CID 110123769) is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCC1(O)CCN(c2cnccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is ICUWSNXXYCTILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-15(4-3-13-2-1-9-23-13)19-11-16(22)5-8-20(12-16)14-10-17-6-7-18-14/h1-2,6-7,9-10,22H,3-5,8,11-12H2,(H,19,21).
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide?
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 332.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110123769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).