3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide

C19H18ClN7O — CID 177489468

IUPAC3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)N/C=N/NC(c2ccccc2)c2ccccc2)nc1Cl
InChIInChI=1S/C19H18ClN7O/c20-16-18(22)26-17(21)15(25-16)19(28)23-11-24-27-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14,27H,(H4,21,22,26)(H,23,24,28)
InChIKeyLUVAUXGVTHRZEB-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.35
Rot. Bonds6

About 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide

3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide (PubChem CID 177489468) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide
PubChem CID177489468
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC Name3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)N/C=N/NC(c2ccccc2)c2ccccc2)nc1Cl
InChIInChI=1S/C19H18ClN7O/c20-16-18(22)26-17(21)15(25-16)19(28)23-11-24-27-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14,27H,(H4,21,22,26)(H,23,24,28)
InChIKeyLUVAUXGVTHRZEB-UHFFFAOYSA-N
XLogP2.35
TPSA131.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
CID 135568542
3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide
CID 135596587
2-benzamidoethyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 58398769
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-6-chloro-N-[N'-(8-phenyloctyl)carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11719430
4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
CID 9214671
(1E)-1-[amino-[2-(3,5-diamino-6-chloropyrazine-2-carbonyl)hydrazinyl]methylidene]-2-(3-phenylpropyl)guanidine
CID 57343904
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
3,5-diamino-6-chloro-N-[N'-[4-[4-[(4S,6R,7S)-7-hydroxy-4,6-dimethyl-7-phenylheptyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 58100122
3,5-diamino-6-chloro-N-[N'-[4-[4-[(4R)-4-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]pentyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 87182005
3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 135375507
3-amino-6-chloro-5-(propan-2-ylamino)-N-[(1,3-thiazolidin-2-ylhydrazinylidene)methyl]pyrazine-2-carboxamide
CID 173428712

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide (CID 177489468) is 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide is Nc1nc(N)c(C(=O)N/C=N/NC(c2ccccc2)c2ccccc2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide?
The InChIKey is LUVAUXGVTHRZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O/c20-16-18(22)26-17(21)15(25-16)19(28)23-11-24-27-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14,27H,(H4,21,22,26)(H,23,24,28).
What are the key properties of 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 177489468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).