1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea

C11H18N4O — CID 47237954

IUPAC1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
SMILESCN(C)CCCNC(=O)Nc1ccccn1
InChIInChI=1S/C11H18N4O/c1-15(2)9-5-8-13-11(16)14-10-6-3-4-7-12-10/h3-4,6-7H,5,8-9H2,1-2H3,(H2,12,13,14,16)
InChIKeyKKMCTGOFFNAVJC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea

1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea (PubChem CID 47237954) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
PubChem CID47237954
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
SMILESCN(C)CCCNC(=O)Nc1ccccn1
InChIInChI=1S/C11H18N4O/c1-15(2)9-5-8-13-11(16)14-10-6-3-4-7-12-10/h3-4,6-7H,5,8-9H2,1-2H3,(H2,12,13,14,16)
InChIKeyKKMCTGOFFNAVJC-UHFFFAOYSA-N
XLogP1.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea 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-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
CID 145258364
CID 145258364
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
6-(pyridin-2-ylcarbamoylamino)hexyl cyanate
CID 139402160
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
1-[(3R)-3-[(S)-methylsulfinyl]butyl]-3-pyridin-2-ylurea
CID 97351423
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea (CID 47237954) is 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea is CN(C)CCCNC(=O)Nc1ccccn1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea?
The InChIKey is KKMCTGOFFNAVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(2)9-5-8-13-11(16)14-10-6-3-4-7-12-10/h3-4,6-7H,5,8-9H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea?
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea has a molecular weight of 222.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 47237954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).