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

C16H18N4O2 — CID 95131389

IUPAC2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
SMILESC[C@@H]1Cc2cc(CNCC(=O)Nc3cnccn3)ccc2O1
InChIInChI=1S/C16H18N4O2/c1-11-6-13-7-12(2-3-14(13)22-11)8-18-10-16(21)20-15-9-17-4-5-19-15/h2-5,7,9,11,18H,6,8,10H2,1H3,(H,19,20,21)/t11-/m1/s1
InChIKeyLJWIBWGRVLNEGS-LLVKDONJSA-N
MW298.35 g/mol
LogP1.53
Rot. Bonds5

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

2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide (PubChem CID 95131389) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
PubChem CID95131389
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
SMILESC[C@@H]1Cc2cc(CNCC(=O)Nc3cnccn3)ccc2O1
InChIInChI=1S/C16H18N4O2/c1-11-6-13-7-12(2-3-14(13)22-11)8-18-10-16(21)20-15-9-17-4-5-19-15/h2-5,7,9,11,18H,6,8,10H2,1H3,(H,19,20,21)/t11-/m1/s1
InChIKeyLJWIBWGRVLNEGS-LLVKDONJSA-N
XLogP1.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-[4-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110094217
(3R)-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylamino]pentanoic acid
CID 166264602
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125443225
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 125440918
1-methyl-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]imidazole-4-sulfonamide
CID 125443777
(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 104868177
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[[1-methyl-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]methanamine
CID 166255395
1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 103109579
2-(2-methoxyethylamino)-N-pyrazin-2-ylacetamide
CID 79282609
(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 124930456

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide (CID 95131389) is 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide is C[C@@H]1Cc2cc(CNCC(=O)Nc3cnccn3)ccc2O1.
What is the InChIKey of 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide?
The InChIKey is LJWIBWGRVLNEGS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-6-13-7-12(2-3-14(13)22-11)8-18-10-16(21)20-15-9-17-4-5-19-15/h2-5,7,9,11,18H,6,8,10H2,1H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide?
2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide has a molecular weight of 298.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 95131389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).