[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone

C20H23N5O2 — CID 167863202

IUPAC[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone
SMILESCN(Cc1cc2ccccc2o1)c1cnc(C(=O)N2CCCNCC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24(14-16-11-15-5-2-3-6-18(15)27-16)19-13-22-17(12-23-19)20(26)25-9-4-7-21-8-10-25/h2-3,5-6,11-13,21H,4,7-10,14H2,1H3
InChIKeyNVAPWQFSIGZYFE-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.29
Rot. Bonds4

About [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone

[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone (PubChem CID 167863202) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone
PubChem CID167863202
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone
SMILESCN(Cc1cc2ccccc2o1)c1cnc(C(=O)N2CCCNCC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24(14-16-11-15-5-2-3-6-18(15)27-16)19-13-22-17(12-23-19)20(26)25-9-4-7-21-8-10-25/h2-3,5-6,11-13,21H,4,7-10,14H2,1H3
InChIKeyNVAPWQFSIGZYFE-UHFFFAOYSA-N
XLogP2.29
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone
CID 167840954
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133355540
ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133355595
N-(1-benzofuran-2-ylmethyl)-N-methylpyridin-2-amine
CID 133355483
N-(1-benzofuran-2-ylmethyl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 133355569
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
1,4-diazepan-1-yl-(2-phenyltriazol-4-yl)methanone
CID 28774472
N-(1-benzofuran-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 110745356
2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137263151
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 43565765
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042

Frequently Asked Questions

What is the IUPAC name of [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone?
The IUPAC name of [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone (CID 167863202) is [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone?
The canonical SMILES for [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone is CN(Cc1cc2ccccc2o1)c1cnc(C(=O)N2CCCNCC2)cn1.
What is the InChIKey of [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone?
The InChIKey is NVAPWQFSIGZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24(14-16-11-15-5-2-3-6-18(15)27-16)19-13-22-17(12-23-19)20(26)25-9-4-7-21-8-10-25/h2-3,5-6,11-13,21H,4,7-10,14H2,1H3.
What are the key properties of [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone?
[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 167863202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).