azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone

C16H20N4O2 — CID 109279529

IUPACazepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCc2ccco2)cn1)N1CCCCCC1
InChIInChI=1S/C16H20N4O2/c21-16(20-7-3-1-2-4-8-20)14-11-19-15(12-17-14)18-10-13-6-5-9-22-13/h5-6,9,11-12H,1-4,7-8,10H2,(H,18,19)
InChIKeyNZHQCMPZHDYAAY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds4

About azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone

azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone (PubChem CID 109279529) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
PubChem CID109279529
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameazepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCc2ccco2)cn1)N1CCCCCC1
InChIInChI=1S/C16H20N4O2/c21-16(20-7-3-1-2-4-8-20)14-11-19-15(12-17-14)18-10-13-6-5-9-22-13/h5-6,9,11-12H,1-4,7-8,10H2,(H,18,19)
InChIKeyNZHQCMPZHDYAAY-UHFFFAOYSA-N
XLogP2.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279509
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
N-cyclopentyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109273898
azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280403
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279517
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274295

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone (CID 109279529) is azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone is O=C(c1cnc(NCc2ccco2)cn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone?
The InChIKey is NZHQCMPZHDYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(20-7-3-1-2-4-8-20)14-11-19-15(12-17-14)18-10-13-6-5-9-22-13/h5-6,9,11-12H,1-4,7-8,10H2,(H,18,19).
What are the key properties of azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone?
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109279529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).