1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea

C14H16N4O — CID 114956458

IUPAC1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccncc1CNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H16N4O/c1-10-5-6-16-8-11(10)9-17-14(19)18-13-4-2-3-12(15)7-13/h2-8H,9,15H2,1H3,(H2,17,18,19)
InChIKeyLTYNKKLVXVKYEL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.29
Rot. Bonds3

About 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea

1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea (PubChem CID 114956458) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
PubChem CID114956458
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccncc1CNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H16N4O/c1-10-5-6-16-8-11(10)9-17-14(19)18-13-4-2-3-12(15)7-13/h2-8H,9,15H2,1H3,(H2,17,18,19)
InChIKeyLTYNKKLVXVKYEL-UHFFFAOYSA-N
XLogP2.29
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea 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-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114957408
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-(3-aminophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 54962762
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
1-(3-aminophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 54962764
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387
1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea
CID 67060654
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 114955945

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea (CID 114956458) is 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea is Cc1ccncc1CNC(=O)Nc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
The InChIKey is LTYNKKLVXVKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-5-6-16-8-11(10)9-17-14(19)18-13-4-2-3-12(15)7-13/h2-8H,9,15H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea has a molecular weight of 256.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 114956458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).