1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea

C16H20N4O — CID 51108284

IUPAC1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
SMILESO=C(NCCCCNc1ccccn1)Nc1ccccc1
InChIInChI=1S/C16H20N4O/c21-16(20-14-8-2-1-3-9-14)19-13-7-6-12-18-15-10-4-5-11-17-15/h1-5,8-11H,6-7,12-13H2,(H,17,18)(H2,19,20,21)
InChIKeyRQIKUTNPGQCTOJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.10
Rot. Bonds7

About 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea

1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea (PubChem CID 51108284) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
PubChem CID51108284
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
SMILESO=C(NCCCCNc1ccccn1)Nc1ccccc1
InChIInChI=1S/C16H20N4O/c21-16(20-14-8-2-1-3-9-14)19-13-7-6-12-18-15-10-4-5-11-17-15/h1-5,8-11H,6-7,12-13H2,(H,17,18)(H2,19,20,21)
InChIKeyRQIKUTNPGQCTOJ-UHFFFAOYSA-N
XLogP3.10
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]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-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064857
1-(3-bromo-4-methylphenyl)-3-[3-(pyridin-2-ylamino)propyl]urea
CID 112837810
1-(3-pyrazol-1-ylphenyl)-3-[3-(pyridin-2-ylamino)propyl]urea
CID 47048736
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea
CID 82331183
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
1-dodecyl-3-phenylurea
CID 3697946
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea?
The IUPAC name of 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea (CID 51108284) is 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea is O=C(NCCCCNc1ccccn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea?
The InChIKey is RQIKUTNPGQCTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(20-14-8-2-1-3-9-14)19-13-7-6-12-18-15-10-4-5-11-17-15/h1-5,8-11H,6-7,12-13H2,(H,17,18)(H2,19,20,21).
What are the key properties of 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea?
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea is sourced from PubChem (CID 51108284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).