N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide

C19H24N4O3 — CID 124963098

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-22(18(24)16-5-3-15(4-6-16)12-26-2)13-19(25)7-10-23(14-19)17-11-20-8-9-21-17/h3-6,8-9,11,25H,7,10,12-14H2,1-2H3/t19-/m1/s1
InChIKeyHNSLTHHOBUWNOA-LJQANCHMSA-N
MW356.43 g/mol
LogP1.34
Rot. Bonds6

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide (PubChem CID 124963098) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
PubChem CID124963098
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-22(18(24)16-5-3-15(4-6-16)12-26-2)13-19(25)7-10-23(14-19)17-11-20-8-9-21-17/h3-6,8-9,11,25H,7,10,12-14H2,1-2H3/t19-/m1/s1
InChIKeyHNSLTHHOBUWNOA-LJQANCHMSA-N
XLogP1.34
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide (CID 124963098) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide is COCc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)cc1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
The InChIKey is HNSLTHHOBUWNOA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(18(24)16-5-3-15(4-6-16)12-26-2)13-19(25)7-10-23(14-19)17-11-20-8-9-21-17/h3-6,8-9,11,25H,7,10,12-14H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide is sourced from PubChem (CID 124963098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).