4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide

C16H19N3O3 — CID 111912031

IUPAC4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc(C#N)cn2C)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-10-5-13(11(2)22-10)16(3,21)9-18-15(20)14-6-12(7-17)8-19(14)4/h5-6,8,21H,9H2,1-4H3,(H,18,20)
InChIKeyPZRGXHVPFVQUDM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.74
Rot. Bonds4

About 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide

4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide (PubChem CID 111912031) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
PubChem CID111912031
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc(C#N)cn2C)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-10-5-13(11(2)22-10)16(3,21)9-18-15(20)14-6-12(7-17)8-19(14)4/h5-6,8,21H,9H2,1-4H3,(H,18,20)
InChIKeyPZRGXHVPFVQUDM-UHFFFAOYSA-N
XLogP1.74
TPSA91.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
4-cyano-N-(2-hydroxy-2,3-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 111912014
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111478944
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylindole-4-carboxamide
CID 111479014
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 96570417
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 111520032
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696565
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide (CID 111912031) is 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2cc(C#N)cn2C)c(C)o1.
What is the InChIKey of 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is PZRGXHVPFVQUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-5-13(11(2)22-10)16(3,21)9-18-15(20)14-6-12(7-17)8-19(14)4/h5-6,8,21H,9H2,1-4H3,(H,18,20).
What are the key properties of 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide?
4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 111912031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).