2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile

C19H18N4O2 — CID 22708131

IUPAC2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESCCCCn1cc(-c2cc(C#N)c(N)nc2-c2ccco2)ccc1=O
InChIInChI=1S/C19H18N4O2/c1-2-3-8-23-12-13(6-7-17(23)24)15-10-14(11-20)19(21)22-18(15)16-5-4-9-25-16/h4-7,9-10,12H,2-3,8H2,1H3,(H2,21,22)
InChIKeyZRPLHBFKBMXTRO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.42
Rot. Bonds5

About 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile

2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 22708131) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID22708131
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESCCCCn1cc(-c2cc(C#N)c(N)nc2-c2ccco2)ccc1=O
InChIInChI=1S/C19H18N4O2/c1-2-3-8-23-12-13(6-7-17(23)24)15-10-14(11-20)19(21)22-18(15)16-5-4-9-25-16/h4-7,9-10,12H,2-3,8H2,1H3,(H2,21,22)
InChIKeyZRPLHBFKBMXTRO-UHFFFAOYSA-N
XLogP3.42
TPSA97.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile (CID 22708131) is 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile is CCCCn1cc(-c2cc(C#N)c(N)nc2-c2ccco2)ccc1=O.
What is the InChIKey of 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is ZRPLHBFKBMXTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-3-8-23-12-13(6-7-17(23)24)15-10-14(11-20)19(21)22-18(15)16-5-4-9-25-16/h4-7,9-10,12H,2-3,8H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile?
2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-butyl-6-oxo-3-pyridinyl)-6-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 22708131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).