N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide

C12H13N3O3 — CID 111481899

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnccn1)c1ccco1
InChIInChI=1S/C12H13N3O3/c1-12(17,10-3-2-6-18-10)8-15-11(16)9-7-13-4-5-14-9/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyQJLMPOIXSSZDPP-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.71
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide (PubChem CID 111481899) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
PubChem CID111481899
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnccn1)c1ccco1
InChIInChI=1S/C12H13N3O3/c1-12(17,10-3-2-6-18-10)8-15-11(16)9-7-13-4-5-14-9/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyQJLMPOIXSSZDPP-UHFFFAOYSA-N
XLogP0.71
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
N-[2-(2-chlorophenyl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 75508216
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide (CID 111481899) is N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide is CC(O)(CNC(=O)c1cnccn1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide?
The InChIKey is QJLMPOIXSSZDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-12(17,10-3-2-6-18-10)8-15-11(16)9-7-13-4-5-14-9/h2-7,17H,8H2,1H3,(H,15,16).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 111481899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).