(2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide

C14H19N7 — CID 137288467

IUPAC(2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide
SMILES[H]/N=C(/C=C\C=C/NC)\N=N\C(C)=N\N=c1/ccccn1C
InChIInChI=1S/C14H19N7/c1-12(17-19-13(15)8-4-6-10-16-2)18-20-14-9-5-7-11-21(14)3/h4-11,15-16H,1-3H3/b8-4-,10-6-,15-13-,18-12+,19-17+,20-14+
InChIKeyYIBJKPFMPBZLQD-KMWPVSMRSA-N
MW285.36 g/mol
LogP1.98
Rot. Bonds4

About (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide

(2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide (PubChem CID 137288467) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide
PubChem CID137288467
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name(2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide
SMILES[H]/N=C(/C=C\C=C/NC)\N=N\C(C)=N\N=c1/ccccn1C
InChIInChI=1S/C14H19N7/c1-12(17-19-13(15)8-4-6-10-16-2)18-20-14-9-5-7-11-21(14)3/h4-11,15-16H,1-3H3/b8-4-,10-6-,15-13-,18-12+,19-17+,20-14+
InChIKeyYIBJKPFMPBZLQD-KMWPVSMRSA-N
XLogP1.98
TPSA90.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide?
The IUPAC name of (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide (CID 137288467) is (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide.
What is the SMILES notation for (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide?
The canonical SMILES for (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide is [H]/N=C(/C=C\C=C/NC)\N=N\C(C)=N\N=c1/ccccn1C.
What is the InChIKey of (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide?
The InChIKey is YIBJKPFMPBZLQD-KMWPVSMRSA-N. The full InChI is InChI=1S/C14H19N7/c1-12(17-19-13(15)8-4-6-10-16-2)18-20-14-9-5-7-11-21(14)3/h4-11,15-16H,1-3H3/b8-4-,10-6-,15-13-,18-12+,19-17+,20-14+.
What are the key properties of (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide?
(2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide has a molecular weight of 285.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide is sourced from PubChem (CID 137288467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).