2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile

C21H20N4O2 — CID 56876273

IUPAC2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(CO)o2)cc(-c2cccc(N3CCCC3)c2)nc1N
InChIInChI=1S/C21H20N4O2/c22-12-18-17(20-7-6-16(13-26)27-20)11-19(24-21(18)23)14-4-3-5-15(10-14)25-8-1-2-9-25/h3-7,10-11,26H,1-2,8-9,13H2,(H2,23,24)
InChIKeyZMMSYNSKGODKSZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.55
Rot. Bonds4

About 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile

2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile (PubChem CID 56876273) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile
PubChem CID56876273
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(CO)o2)cc(-c2cccc(N3CCCC3)c2)nc1N
InChIInChI=1S/C21H20N4O2/c22-12-18-17(20-7-6-16(13-26)27-20)11-19(24-21(18)23)14-4-3-5-15(10-14)25-8-1-2-9-25/h3-7,10-11,26H,1-2,8-9,13H2,(H2,23,24)
InChIKeyZMMSYNSKGODKSZ-UHFFFAOYSA-N
XLogP3.55
TPSA99.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile (CID 56876273) is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(CO)o2)cc(-c2cccc(N3CCCC3)c2)nc1N.
What is the InChIKey of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is ZMMSYNSKGODKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-12-18-17(20-7-6-16(13-26)27-20)11-19(24-21(18)23)14-4-3-5-15(10-14)25-8-1-2-9-25/h3-7,10-11,26H,1-2,8-9,13H2,(H2,23,24).
What are the key properties of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile?
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56876273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).