N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide

C19H19N3O2 — CID 121198828

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1nccnc1-c1ccco1
InChIInChI=1S/C19H19N3O2/c23-18(10-4-8-15-6-2-1-3-7-15)22-14-16-19(21-12-11-20-16)17-9-5-13-24-17/h1-3,5-7,9,11-13H,4,8,10,14H2,(H,22,23)
InChIKeyJWCDGWVSXQUOQE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.38
Rot. Bonds7

About N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide (PubChem CID 121198828) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
PubChem CID121198828
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1nccnc1-c1ccco1
InChIInChI=1S/C19H19N3O2/c23-18(10-4-8-15-6-2-1-3-7-15)22-14-16-19(21-12-11-20-16)17-9-5-13-24-17/h1-3,5-7,9,11-13H,4,8,10,14H2,(H,22,23)
InChIKeyJWCDGWVSXQUOQE-UHFFFAOYSA-N
XLogP3.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
CID 121198786
(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
CID 121198721
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 121198819
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 119105871
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide
CID 41246615
3-(2-chlorophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]prop-2-enamide
CID 171136911

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide (CID 121198828) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCc1nccnc1-c1ccco1.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide?
The InChIKey is JWCDGWVSXQUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(10-4-8-15-6-2-1-3-7-15)22-14-16-19(21-12-11-20-16)17-9-5-13-24-17/h1-3,5-7,9,11-13H,4,8,10,14H2,(H,22,23).
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide has a molecular weight of 321.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide is sourced from PubChem (CID 121198828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).