N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide

C16H19N5O2 — CID 135506059

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cnccn2)c(O)c1
InChIInChI=1S/C16H19N5O2/c1-3-21(4-2)13-6-5-12(15(22)9-13)10-19-20-16(23)14-11-17-7-8-18-14/h5-11,22H,3-4H2,1-2H3,(H,20,23)/b19-10+
InChIKeyQWJBFGPPKJGMIU-VXLYETTFSA-N
MW313.36 g/mol
LogP1.79
Rot. Bonds6

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide (PubChem CID 135506059) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide
PubChem CID135506059
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cnccn2)c(O)c1
InChIInChI=1S/C16H19N5O2/c1-3-21(4-2)13-6-5-12(15(22)9-13)10-19-20-16(23)14-11-17-7-8-18-14/h5-11,22H,3-4H2,1-2H3,(H,20,23)/b19-10+
InChIKeyQWJBFGPPKJGMIU-VXLYETTFSA-N
XLogP1.79
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
Pyrazine-2-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135470871
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968272
SCFSkp2-IN-2
CID 135457298
(E)-N'-(3,5-di-tert-butyl-4-hydroxybenzylidene)pyrazine-2-carbohydrazide
CID 135576570
N'-[(1Z)-1-(2-hydroxyphenyl)ethylidene]pyrazine-2-carbohydrazide
CID 135703773
N'-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]-2-(1-methyl-1H-pyrrol-2-YL)acetohydrazide
CID 135713452
5-(diethylammonio)-2-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}phenolate
CID 9613337
(E)-N'-(3-hydroxybenzylidene)pyrazine-2-carbohydrazide
CID 5726080
5-tert-butyl-N-(3-hydroxyphenyl)pyrazine-2-carboxamide
CID 76331126
N'-(4-hydroxybenzylidene)-2-pyrazinecarbohydrazide
CID 135446634
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide
CID 137292474

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide (CID 135506059) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cnccn2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide?
The InChIKey is QWJBFGPPKJGMIU-VXLYETTFSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-21(4-2)13-6-5-12(15(22)9-13)10-19-20-16(23)14-11-17-7-8-18-14/h5-11,22H,3-4H2,1-2H3,(H,20,23)/b19-10+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 135506059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).