2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile

C14H11N6O+ — CID 2397154

IUPAC2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)[nH+]c(NCc2ccco2)c1C#N
InChIInChI=1S/C14H10N6O/c15-4-3-10-11(6-16)13(18)20-14(12(10)7-17)19-8-9-2-1-5-21-9/h1-2,5H,3,8H2,(H3,18,19,20)/p+1
InChIKeyYJUWXRNZXZXFQL-UHFFFAOYSA-O
MW279.28 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile (PubChem CID 2397154) has the molecular formula C14H11N6O+ and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile
PubChem CID2397154
Molecular FormulaC14H11N6O+
Molecular Weight279.28 g/mol
Exact Mass279.10
IUPAC Name2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)[nH+]c(NCc2ccco2)c1C#N
InChIInChI=1S/C14H10N6O/c15-4-3-10-11(6-16)13(18)20-14(12(10)7-17)19-8-9-2-1-5-21-9/h1-2,5H,3,8H2,(H3,18,19,20)/p+1
InChIKeyYJUWXRNZXZXFQL-UHFFFAOYSA-O
XLogP1.10
TPSA136.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-(furan-2-ylmethylamino)benzonitrile
CID 60678752
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
furan-2-ylmethylhydrazine;dihydrochloride
CID 53402165
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile
CID 82341774
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile
CID 694867
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile (CID 2397154) is 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile is N#CCc1c(C#N)c(N)[nH+]c(NCc2ccco2)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile?
The InChIKey is YJUWXRNZXZXFQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H10N6O/c15-4-3-10-11(6-16)13(18)20-14(12(10)7-17)19-8-9-2-1-5-21-9/h1-2,5H,3,8H2,(H3,18,19,20)/p+1.
What are the key properties of 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile has a molecular weight of 279.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-(furan-2-ylmethylamino)pyridin-1-ium-3,5-dicarbonitrile is sourced from PubChem (CID 2397154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).