2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile

C20H19N3O3 — CID 56743775

IUPAC2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile
SMILESCC(C)Oc1cccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H19N3O3/c1-12(2)25-14-5-3-4-13(8-14)18-9-16(17(10-21)20(22)23-18)19-7-6-15(11-24)26-19/h3-9,12,24H,11H2,1-2H3,(H2,22,23)
InChIKeyOXAQJXFWBMSOLT-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.74
Rot. Bonds5

About 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile

2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile (PubChem CID 56743775) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile
PubChem CID56743775
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile
SMILESCC(C)Oc1cccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H19N3O3/c1-12(2)25-14-5-3-4-13(8-14)18-9-16(17(10-21)20(22)23-18)19-7-6-15(11-24)26-19/h3-9,12,24H,11H2,1-2H3,(H2,22,23)
InChIKeyOXAQJXFWBMSOLT-UHFFFAOYSA-N
XLogP3.74
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile
CID 56876273
2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
CID 56752612
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-6-(4-fluorophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 665592
methyl 3-[2-amino-3-cyano-6-(furan-2-yl)-4-pyridinyl]benzoate
CID 56752371
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile (CID 56743775) is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile is CC(C)Oc1cccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
The InChIKey is OXAQJXFWBMSOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12(2)25-14-5-3-4-13(8-14)18-9-16(17(10-21)20(22)23-18)19-7-6-15(11-24)26-19/h3-9,12,24H,11H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile?
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 3.74, 5 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-propan-2-yloxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56743775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).