N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide

C19H18N6O2 — CID 157476260

IUPACN-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide
SMILESNC(=O)c1cnccn1.NC(N)=NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13N3O.C5H5N3O/c15-14(16)17-13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10;6-5(9)4-3-7-1-2-8-4/h1-9H,(H4,15,16,17,18);1-3H,(H2,6,9)
InChIKeyBVPXXHINERMXOZ-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.34
Rot. Bonds3

About N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide

N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide (PubChem CID 157476260) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide
PubChem CID157476260
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide
SMILESNC(=O)c1cnccn1.NC(N)=NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13N3O.C5H5N3O/c15-14(16)17-13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10;6-5(9)4-3-7-1-2-8-4/h1-9H,(H4,15,16,17,18);1-3H,(H2,6,9)
InChIKeyBVPXXHINERMXOZ-UHFFFAOYSA-N
XLogP1.34
TPSA150.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(diaminomethylidene)pyridine-4-carboxamide
CID 14045774
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790
N-deuteriopyrazine-2-carboxamide
CID 175943999
1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione
CID 57283550
benzoic acid;pyridine-2-carboxamide
CID 67821051
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
hydron;5-pyridin-4-ylpyridine-2-carboxamide
CID 175541988

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide (CID 157476260) is N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide is NC(=O)c1cnccn1.NC(N)=NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide?
The InChIKey is BVPXXHINERMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.C5H5N3O/c15-14(16)17-13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10;6-5(9)4-3-7-1-2-8-4/h1-9H,(H4,15,16,17,18);1-3H,(H2,6,9).
What are the key properties of N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide?
N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide is sourced from PubChem (CID 157476260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).