N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide

C12H15N3 — CID 135127908

IUPACN'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide
SMILESC=C/C=C(\C)N/C(=N\C)c1cccnc1
InChIInChI=1S/C12H15N3/c1-4-6-10(2)15-12(13-3)11-7-5-8-14-9-11/h4-9H,1H2,2-3H3,(H,13,15)/b10-6+
InChIKeyDAYZRKNGWQYSGP-UXBLZVDNSA-N
MW201.27 g/mol
LogP2.14
Rot. Bonds3

About N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide

N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide (PubChem CID 135127908) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide
PubChem CID135127908
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide
SMILESC=C/C=C(\C)N/C(=N\C)c1cccnc1
InChIInChI=1S/C12H15N3/c1-4-6-10(2)15-12(13-3)11-7-5-8-14-9-11/h4-9H,1H2,2-3H3,(H,13,15)/b10-6+
InChIKeyDAYZRKNGWQYSGP-UXBLZVDNSA-N
XLogP2.14
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
CID 173104208
(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one
CID 129058833
1-pyridin-3-ylethanethione
CID 11815891
N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine
CID 142492833
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
CID 143793777
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
N-[(1E)-2-pyridin-3-ylbuta-1,3-dienyl]methanimine
CID 143908274
N-[N-acetyl-N'-[(E)-1-pyridin-3-ylethylideneamino]carbamimidoyl]acetamide
CID 135813165
3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine
CID 130370265

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide (CID 135127908) is N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide is C=C/C=C(\C)N/C(=N\C)c1cccnc1.
What is the InChIKey of N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide?
The InChIKey is DAYZRKNGWQYSGP-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-6-10(2)15-12(13-3)11-7-5-8-14-9-11/h4-9H,1H2,2-3H3,(H,13,15)/b10-6+.
What are the key properties of N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide?
N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide has a molecular weight of 201.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 135127908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).