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

C17H15N3O2S — CID 56871087

IUPAC2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C)s1
InChIInChI=1S/C17H15N3O2S/c1-9-3-6-14(23-9)16-10(2)15(12(7-18)17(19)20-16)13-5-4-11(8-21)22-13/h3-6,21H,8H2,1-2H3,(H2,19,20)
InChIKeyPDOWFYKVBRRDKW-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.63
Rot. Bonds3

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

2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile (PubChem CID 56871087) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
PubChem CID56871087
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C)s1
InChIInChI=1S/C17H15N3O2S/c1-9-3-6-14(23-9)16-10(2)15(12(7-18)17(19)20-16)13-5-4-11(8-21)22-13/h3-6,21H,8H2,1-2H3,(H2,19,20)
InChIKeyPDOWFYKVBRRDKW-UHFFFAOYSA-N
XLogP3.63
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[5-(hydroxymethyl)furan-2-yl]-7-methoxy-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 56748740
2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile
CID 56868774
2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile
CID 56878212
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-8-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56871594
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-propan-2-yloxyphenyl)pyridine-3-carbonitrile
CID 56743775
[5-(5-bromothiophen-2-yl)furan-2-yl]methanol
CID 71530015
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3517163
3,5-dichloro-6-(5-methylthiophen-2-yl)pyridin-2-amine
CID 102753544
5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009904
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-6-(3-pyrrolidin-1-ylphenyl)pyridine-3-carbonitrile
CID 56876273
2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152
2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
CID 71565212

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile (CID 56871087) is 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C)s1.
What is the InChIKey of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
The InChIKey is PDOWFYKVBRRDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-9-3-6-14(23-9)16-10(2)15(12(7-18)17(19)20-16)13-5-4-11(8-21)22-13/h3-6,21H,8H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile has a molecular weight of 325.39 g/mol, XLogP of 3.63, 3 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]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56871087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).