1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea

C14H15N4O2+ — CID 135981633

IUPAC1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea
SMILESC[n+]1cc(O)ccc1C=NNC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N4O2/c1-18-10-13(19)8-7-12(18)9-15-17-14(20)16-11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,19,20)/p+1
InChIKeyHYENOBFIVMVMJU-UHFFFAOYSA-O
MW271.30 g/mol
LogP1.37
Rot. Bonds3

About 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea

1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea (PubChem CID 135981633) has the molecular formula C14H15N4O2+ and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea
PubChem CID135981633
Molecular FormulaC14H15N4O2+
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea
SMILESC[n+]1cc(O)ccc1C=NNC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N4O2/c1-18-10-13(19)8-7-12(18)9-15-17-14(20)16-11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,19,20)/p+1
InChIKeyHYENOBFIVMVMJU-UHFFFAOYSA-O
XLogP1.37
TPSA77.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea 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-[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea chloride
CID 19692550
[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea
CID 135727000
S-(dimethylamino) N-[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]carbamothioate
CID 135726998
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
1-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
CID 6450773
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylurea
CID 136690347
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
1-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]urea
CID 9243242

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea (CID 135981633) is 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea is C[n+]1cc(O)ccc1C=NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea?
The InChIKey is HYENOBFIVMVMJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N4O2/c1-18-10-13(19)8-7-12(18)9-15-17-14(20)16-11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,19,20)/p+1.
What are the key properties of 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea?
1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea has a molecular weight of 271.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 135981633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).