N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide

C26H26N10O2 — CID 139078457

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N\NC(=O)c1cnccn1)c1ccc(N)cc1.C/C(=N\NC(=O)c1cnccn1)c1ccc(N)cc1
InChIInChI=1S/2C13H13N5O/c2*1-9(10-2-4-11(14)5-3-10)17-18-13(19)12-8-15-6-7-16-12/h2*2-8H,14H2,1H3,(H,18,19)/b2*17-9+
InChIKeyQWUSEIBOUAZHRO-YVJYXYSBSA-N
MW510.56 g/mol
LogP2.43
Rot. Bonds6

About N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide

N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide (PubChem CID 139078457) has the molecular formula C26H26N10O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
PubChem CID139078457
Molecular FormulaC26H26N10O2
Molecular Weight510.56 g/mol
Exact Mass510.22
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N\NC(=O)c1cnccn1)c1ccc(N)cc1.C/C(=N\NC(=O)c1cnccn1)c1ccc(N)cc1
InChIInChI=1S/2C13H13N5O/c2*1-9(10-2-4-11(14)5-3-10)17-18-13(19)12-8-15-6-7-16-12/h2*2-8H,14H2,1H3,(H,18,19)/b2*17-9+
InChIKeyQWUSEIBOUAZHRO-YVJYXYSBSA-N
XLogP2.43
TPSA186.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.56
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 3836792
N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]pyrazine-2-carboxamide
CID 96996113
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
CID 97186271
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide (CID 139078457) is N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide is C/C(=N\NC(=O)c1cnccn1)c1ccc(N)cc1.C/C(=N\NC(=O)c1cnccn1)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide?
The InChIKey is QWUSEIBOUAZHRO-YVJYXYSBSA-N. The full InChI is InChI=1S/2C13H13N5O/c2*1-9(10-2-4-11(14)5-3-10)17-18-13(19)12-8-15-6-7-16-12/h2*2-8H,14H2,1H3,(H,18,19)/b2*17-9+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 139078457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).