N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide

C19H22N4O2 — CID 45169660

IUPACN-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCC1Cc2cc(-c3cnccn3)ccc2O1
InChIInChI=1S/C19H22N4O2/c24-19(13-23-7-1-2-8-23)22-11-16-10-15-9-14(3-4-18(15)25-16)17-12-20-5-6-21-17/h3-6,9,12,16H,1-2,7-8,10-11,13H2,(H,22,24)
InChIKeySREJTXPAUGRPTP-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.66
Rot. Bonds5

About N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide

N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 45169660) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID45169660
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCC1Cc2cc(-c3cnccn3)ccc2O1
InChIInChI=1S/C19H22N4O2/c24-19(13-23-7-1-2-8-23)22-11-16-10-15-9-14(3-4-18(15)25-16)17-12-20-5-6-21-17/h3-6,9,12,16H,1-2,7-8,10-11,13H2,(H,22,24)
InChIKeySREJTXPAUGRPTP-UHFFFAOYSA-N
XLogP1.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide with MolForge

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Related Compounds

(3S)-3-methyl-2-oxo-N-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide
CID 42318753
N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 45172376
methyl 3-[[(2R)-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate
CID 42381976
N-[[(2R)-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42212547
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 125158691
N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42430877
N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26278009
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 87012320
3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45191429
2-(1-oxo-4-phenylphthalazin-2-yl)-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45246052
3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 126463783
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-2-carboxamide
CID 126465751

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide (CID 45169660) is N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NCC1Cc2cc(-c3cnccn3)ccc2O1.
What is the InChIKey of N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is SREJTXPAUGRPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(13-23-7-1-2-8-23)22-11-16-10-15-9-14(3-4-18(15)25-16)17-12-20-5-6-21-17/h3-6,9,12,16H,1-2,7-8,10-11,13H2,(H,22,24).
What are the key properties of N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide?
N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 338.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 45169660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).