2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C17H17N5O2 — CID 169393025

IUPAC2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCN(CC)c1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(O)c1
InChIInChI=1S/C17H17N5O2/c1-3-22(4-2)10-5-6-11(14(23)7-10)15-12(8-18)16(20)21-17(24)13(15)9-19/h5-7,23H,3-4H2,1-2H3,(H3,20,21,24)
InChIKeyBOXNLEMDDCPWEW-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393025) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393025
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCN(CC)c1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(O)c1
InChIInChI=1S/C17H17N5O2/c1-3-22(4-2)10-5-6-11(14(23)7-10)15-12(8-18)16(20)21-17(24)13(15)9-19/h5-7,23H,3-4H2,1-2H3,(H3,20,21,24)
InChIKeyBOXNLEMDDCPWEW-UHFFFAOYSA-N
XLogP1.92
TPSA129.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393025) is 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is CCN(CC)c1ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c(O)c1.
What is the InChIKey of 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is BOXNLEMDDCPWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-22(4-2)10-5-6-11(14(23)7-10)15-12(8-18)16(20)21-17(24)13(15)9-19/h5-7,23H,3-4H2,1-2H3,(H3,20,21,24).
What are the key properties of 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 323.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).