methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate

C19H19N5O2 — CID 126499613

IUPACmethyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate
SMILESC=C/C=C/C(=N/c1ccncc1C(=O)OC)/N=C(\N)c1cccc(C)n1
InChIInChI=1S/C19H19N5O2/c1-4-5-9-17(24-18(20)16-8-6-7-13(2)22-16)23-15-10-11-21-12-14(15)19(25)26-3/h4-12H,1H2,2-3H3,(H2,20,21,23,24)/b9-5+
InChIKeyCAVVAUULVJFFFN-WEVVVXLNSA-N
MW349.39 g/mol
LogP2.75
Rot. Bonds5

About methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate

methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate (PubChem CID 126499613) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate
PubChem CID126499613
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Namemethyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate
SMILESC=C/C=C/C(=N/c1ccncc1C(=O)OC)/N=C(\N)c1cccc(C)n1
InChIInChI=1S/C19H19N5O2/c1-4-5-9-17(24-18(20)16-8-6-7-13(2)22-16)23-15-10-11-21-12-14(15)19(25)26-3/h4-12H,1H2,2-3H3,(H2,20,21,23,24)/b9-5+
InChIKeyCAVVAUULVJFFFN-WEVVVXLNSA-N
XLogP2.75
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 4-methylpyridine-3-carboxylate
CID 10877301
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
6-methyl-N'-(methylamino)pyridine-2-carboximidamide
CID 14328308
6-[N'-[N-(3-fluoro-4-pyridinyl)-C-(4-methyl-1H-pyrrol-2-yl)carbonimidoyl]carbamimidoyl]pyridine-2-carboxamide
CID 145236102
methyl 3-(ethenylamino)pyridine-4-carboxylate
CID 144656396
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 3-isocyanatopyridine-4-carboxylate
CID 46909403
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
6-methylpyridine-2-carbonyl iodide
CID 154552361
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate (CID 126499613) is methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate is C=C/C=C/C(=N/c1ccncc1C(=O)OC)/N=C(\N)c1cccc(C)n1.
What is the InChIKey of methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate?
The InChIKey is CAVVAUULVJFFFN-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-4-5-9-17(24-18(20)16-8-6-7-13(2)22-16)23-15-10-11-21-12-14(15)19(25)26-3/h4-12H,1H2,2-3H3,(H2,20,21,23,24)/b9-5+.
What are the key properties of methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate?
methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2E)-1-[[amino-(6-methyl-2-pyridinyl)methylidene]amino]penta-2,4-dienylidene]amino]pyridine-3-carboxylate is sourced from PubChem (CID 126499613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).