[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea

C15H18N4O — CID 103932386

IUPAC[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
SMILESCc1cncc(NC(C)c2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C15H18N4O/c1-10-7-14(9-17-8-10)18-11(2)12-3-5-13(6-4-12)19-15(16)20/h3-9,11,18H,1-2H3,(H3,16,19,20)
InChIKeySDGCRKWUQMWVOG-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.05
Rot. Bonds4

About [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea

[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea (PubChem CID 103932386) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
PubChem CID103932386
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
SMILESCc1cncc(NC(C)c2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C15H18N4O/c1-10-7-14(9-17-8-10)18-11(2)12-3-5-13(6-4-12)19-15(16)20/h3-9,11,18H,1-2H3,(H3,16,19,20)
InChIKeySDGCRKWUQMWVOG-UHFFFAOYSA-N
XLogP3.05
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(3-bromo-5-methylanilino)ethyl]phenyl]urea
CID 104938370
N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932325
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
CID 107648295
N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
CID 103932307
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
CID 43777234
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea
CID 133317283
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea (CID 103932386) is [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea is Cc1cncc(NC(C)c2ccc(NC(N)=O)cc2)c1.
What is the InChIKey of [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea?
The InChIKey is SDGCRKWUQMWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-7-14(9-17-8-10)18-11(2)12-3-5-13(6-4-12)19-15(16)20/h3-9,11,18H,1-2H3,(H3,16,19,20).
What are the key properties of [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea?
[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea has a molecular weight of 270.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 103932386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).