N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

C16H17N3O2 — CID 42430877

IUPACN-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1
InChIInChI=1S/C16H17N3O2/c1-2-15(20)19-9-12-8-11-4-3-5-13(16(11)21-12)14-10-17-6-7-18-14/h3-7,10,12H,2,8-9H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyLVPYJAVFDZVYIF-LBPRGKRZSA-N
MW283.33 g/mol
LogP1.97
Rot. Bonds4

About N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 42430877) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
PubChem CID42430877
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1
InChIInChI=1S/C16H17N3O2/c1-2-15(20)19-9-12-8-11-4-3-5-13(16(11)21-12)14-10-17-6-7-18-14/h3-7,10,12H,2,8-9H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyLVPYJAVFDZVYIF-LBPRGKRZSA-N
XLogP1.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
CID 126462892
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 74496936
1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide
CID 42376585
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42397404
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 45190536
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 45166829
2-(1-oxo-4-phenylphthalazin-2-yl)-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45246052
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126467404
2-(4-chlorophenyl)-N-[[(2S)-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42171221
(3R)-3-methyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide
CID 42538916
2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45230284

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The IUPAC name of N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (CID 42430877) is N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The canonical SMILES for N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is CCC(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1.
What is the InChIKey of N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The InChIKey is LVPYJAVFDZVYIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-15(20)19-9-12-8-11-4-3-5-13(16(11)21-12)14-10-17-6-7-18-14/h3-7,10,12H,2,8-9H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 283.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 42430877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).