3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide

C19H24N4O2 — CID 50973491

IUPAC3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide
SMILESCCN(Cc1cccc(C(=O)Nc2cnccn2)c1)CC1CCCO1
InChIInChI=1S/C19H24N4O2/c1-2-23(14-17-7-4-10-25-17)13-15-5-3-6-16(11-15)19(24)22-18-12-20-8-9-21-18/h3,5-6,8-9,11-12,17H,2,4,7,10,13-14H2,1H3,(H,21,22,24)
InChIKeyJLOBVUMARXJUCC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.73
Rot. Bonds7

About 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide

3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide (PubChem CID 50973491) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide
PubChem CID50973491
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide
SMILESCCN(Cc1cccc(C(=O)Nc2cnccn2)c1)CC1CCCO1
InChIInChI=1S/C19H24N4O2/c1-2-23(14-17-7-4-10-25-17)13-15-5-3-6-16(11-15)19(24)22-18-12-20-8-9-21-18/h3,5-6,8-9,11-12,17H,2,4,7,10,13-14H2,1H3,(H,21,22,24)
InChIKeyJLOBVUMARXJUCC-UHFFFAOYSA-N
XLogP2.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide
CID 95208727
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904078
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 122560301
methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 95281906
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
2-[(2S)-oxan-2-yl]-N-pyrazin-2-ylacetamide
CID 97309242
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880699
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide (CID 50973491) is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide is CCN(Cc1cccc(C(=O)Nc2cnccn2)c1)CC1CCCO1.
What is the InChIKey of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide?
The InChIKey is JLOBVUMARXJUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23(14-17-7-4-10-25-17)13-15-5-3-6-16(11-15)19(24)22-18-12-20-8-9-21-18/h3,5-6,8-9,11-12,17H,2,4,7,10,13-14H2,1H3,(H,21,22,24).
What are the key properties of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide?
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide has a molecular weight of 340.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 50973491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).