1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea

C16H19FN4O — CID 134359780

IUPAC1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea
SMILESCc1cncc(C)c1NCCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H19FN4O/c1-11-9-18-10-12(2)15(11)19-6-7-20-16(22)21-14-5-3-4-13(17)8-14/h3-5,8-10H,6-7H2,1-2H3,(H,18,19)(H2,20,21,22)
InChIKeySFVLSEPJTZBTKL-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.07
Rot. Bonds5

About 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea

1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea (PubChem CID 134359780) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea
PubChem CID134359780
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea
SMILESCc1cncc(C)c1NCCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H19FN4O/c1-11-9-18-10-12(2)15(11)19-6-7-20-16(22)21-14-5-3-4-13(17)8-14/h3-5,8-10H,6-7H2,1-2H3,(H,18,19)(H2,20,21,22)
InChIKeySFVLSEPJTZBTKL-UHFFFAOYSA-N
XLogP3.07
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 47192808
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-(3-fluorophenyl)urea
CID 43813654
1-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-3-(3-fluorophenyl)urea
CID 56923369
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
4-(2,2-dimethylpropanoylamino)-N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]benzamide
CID 121063359
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea (CID 134359780) is 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea is Cc1cncc(C)c1NCCNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea?
The InChIKey is SFVLSEPJTZBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-9-18-10-12(2)15(11)19-6-7-20-16(22)21-14-5-3-4-13(17)8-14/h3-5,8-10H,6-7H2,1-2H3,(H,18,19)(H2,20,21,22).
What are the key properties of 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea?
1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea has a molecular weight of 302.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 134359780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).