1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride

C14H15ClN4O — CID 19692550

IUPAC1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride
SMILESC[n+]1ccccc1/C=N/NC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C14H14N4O.ClH/c1-18-10-6-5-9-13(18)11-15-17-14(19)16-12-7-3-2-4-8-12;/h2-11H,1H3,(H,16,19);1H
InChIKeyDEQYMVAMZRYLGS-UHFFFAOYSA-N
MW290.75 g/mol
LogP-1.33
Rot. Bonds3

About 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride

1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride (PubChem CID 19692550) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride.

Molecular Properties

Compound Name1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride
PubChem CID19692550
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride
SMILESC[n+]1ccccc1/C=N/NC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C14H14N4O.ClH/c1-18-10-6-5-9-13(18)11-15-17-14(19)16-12-7-3-2-4-8-12;/h2-11H,1H3,(H,16,19);1H
InChIKeyDEQYMVAMZRYLGS-UHFFFAOYSA-N
XLogP-1.33
TPSA57.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride 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

1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea
CID 135981633
[(1-methylpyridin-1-ium-2-yl)methylideneamino]urea iodide
CID 71396567
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
CID 6450773
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
S-anilino N-[(E)-(3-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]carbamothioate chloride
CID 135727024
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride?
The IUPAC name of 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride (CID 19692550) is 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride.
What is the SMILES notation for 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride?
The canonical SMILES for 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride is C[n+]1ccccc1/C=N/NC(=O)Nc1ccccc1.[Cl-].
What is the InChIKey of 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride?
The InChIKey is DEQYMVAMZRYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.ClH/c1-18-10-6-5-9-13(18)11-15-17-14(19)16-12-7-3-2-4-8-12;/h2-11H,1H3,(H,16,19);1H.
What are the key properties of 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride?
1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride has a molecular weight of 290.75 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride is sourced from PubChem (CID 19692550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).