6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide

C16H16N4O3 — CID 97221820

IUPAC6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide
SMILESCOc1cccc2cc([C@@H](C)Nc3cncc(C(N)=O)n3)oc12
InChIInChI=1S/C16H16N4O3/c1-9(19-14-8-18-7-11(20-14)16(17)21)13-6-10-4-3-5-12(22-2)15(10)23-13/h3-9H,1-2H3,(H2,17,21)(H,19,20)/t9-/m1/s1
InChIKeyIEHXZVZLNLFQKF-SECBINFHSA-N
MW312.33 g/mol
LogP2.50
Rot. Bonds5

About 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide

6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide (PubChem CID 97221820) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide
PubChem CID97221820
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide
SMILESCOc1cccc2cc([C@@H](C)Nc3cncc(C(N)=O)n3)oc12
InChIInChI=1S/C16H16N4O3/c1-9(19-14-8-18-7-11(20-14)16(17)21)13-6-10-4-3-5-12(22-2)15(10)23-13/h3-9H,1-2H3,(H2,17,21)(H,19,20)/t9-/m1/s1
InChIKeyIEHXZVZLNLFQKF-SECBINFHSA-N
XLogP2.50
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 51105870
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47024453
N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55589295
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
(1R)-1-(7-methoxy-1-benzofuran-2-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
CID 97031434
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide (CID 97221820) is 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide is COc1cccc2cc([C@@H](C)Nc3cncc(C(N)=O)n3)oc12.
What is the InChIKey of 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide?
The InChIKey is IEHXZVZLNLFQKF-SECBINFHSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9(19-14-8-18-7-11(20-14)16(17)21)13-6-10-4-3-5-12(22-2)15(10)23-13/h3-9H,1-2H3,(H2,17,21)(H,19,20)/t9-/m1/s1.
What are the key properties of 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide?
6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 97221820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).