2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile

C20H19N3O3 — CID 56752612

IUPAC2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3cccc(OCCO)c3)c(C#N)c(N)n2)c(C)o1
InChIInChI=1S/C20H19N3O3/c1-12-8-16(13(2)26-12)19-10-17(18(11-21)20(22)23-19)14-4-3-5-15(9-14)25-7-6-24/h3-5,8-10,24H,6-7H2,1-2H3,(H2,22,23)
InChIKeyKTONSPNTCDQQNK-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.45
Rot. Bonds5

About 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile

2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 56752612) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID56752612
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3cccc(OCCO)c3)c(C#N)c(N)n2)c(C)o1
InChIInChI=1S/C20H19N3O3/c1-12-8-16(13(2)26-12)19-10-17(18(11-21)20(22)23-19)14-4-3-5-15(9-14)25-7-6-24/h3-5,8-10,24H,6-7H2,1-2H3,(H2,22,23)
InChIKeyKTONSPNTCDQQNK-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide
CID 56759193
2-amino-6-(2,5-dimethylfuran-3-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 135990715
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230485
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
2-[3-(2-amino-3-cyano-6-pyridin-4-yl-4-pyridinyl)phenoxy]acetamide;formic acid
CID 171330404
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile
CID 56743775

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile (CID 56752612) is 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile is Cc1cc(-c2cc(-c3cccc(OCCO)c3)c(C#N)c(N)n2)c(C)o1.
What is the InChIKey of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is KTONSPNTCDQQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-8-16(13(2)26-12)19-10-17(18(11-21)20(22)23-19)14-4-3-5-15(9-14)25-7-6-24/h3-5,8-10,24H,6-7H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile?
2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethylfuran-3-yl)-4-[3-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 56752612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).