2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C17H10N4O2 — CID 169393411

IUPAC2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(-c2ccco2)c1
InChIInChI=1S/C17H10N4O2/c18-8-12-15(13(9-19)17(22)21-16(12)20)11-4-1-3-10(7-11)14-5-2-6-23-14/h1-7H,(H3,20,21,22)
InChIKeyXWXJWZHANPANKD-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.63
Rot. Bonds2

About 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393411) has the molecular formula C17H10N4O2 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393411
Molecular FormulaC17H10N4O2
Molecular Weight302.29 g/mol
Exact Mass302.08
IUPAC Name2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(-c2ccco2)c1
InChIInChI=1S/C17H10N4O2/c18-8-12-15(13(9-19)17(22)21-16(12)20)11-4-1-3-10(7-11)14-5-2-6-23-14/h1-7H,(H3,20,21,22)
InChIKeyXWXJWZHANPANKD-UHFFFAOYSA-N
XLogP2.63
TPSA119.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[3-(3-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393913
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 169393283
2-amino-4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395402
2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394393
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
2-amino-4-(3-butylsulfanylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393562
2-amino-6-oxo-4-(3-pentylsulfanylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393575
2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393784
2-amino-4-(4-methoxy-3-phenylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395414
ethyl 3-[3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenoxy]propanoate
CID 169394983
2-amino-4-[3-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393488

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393411) is 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(-c2ccco2)c1.
What is the InChIKey of 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is XWXJWZHANPANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O2/c18-8-12-15(13(9-19)17(22)21-16(12)20)11-4-1-3-10(7-11)14-5-2-6-23-14/h1-7H,(H3,20,21,22).
What are the key properties of 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 302.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).