1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea

C22H24N4O — CID 118301555

IUPAC1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea
SMILESCCc1ncc(C)cc1NC(=O)NCc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C22H24N4O/c1-3-20-21(12-16(2)14-24-20)26-22(27)25-15-19-6-4-17(5-7-19)13-18-8-10-23-11-9-18/h4-12,14H,3,13,15H2,1-2H3,(H2,25,26,27)
InChIKeyBAZFIIITNVGIOX-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.26
Rot. Bonds6

About 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea

1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 118301555) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea
PubChem CID118301555
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea
SMILESCCc1ncc(C)cc1NC(=O)NCc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C22H24N4O/c1-3-20-21(12-16(2)14-24-20)26-22(27)25-15-19-6-4-17(5-7-19)13-18-8-10-23-11-9-18/h4-12,14H,3,13,15H2,1-2H3,(H2,25,26,27)
InChIKeyBAZFIIITNVGIOX-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 122146938
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 21454522
1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 166313203
3-ethyl-2-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 135222661
1-(4-bromo-2-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
CID 47032119
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
1-[(4-methylphenyl)methyl]-3-[2-(pyridin-4-ylamino)ethyl]urea
CID 47051665
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(5-tert-butyl-2-methoxyphenyl)-3-(pyridin-4-ylmethyl)urea
CID 10380868
1-N'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea (CID 118301555) is 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea is CCc1ncc(C)cc1NC(=O)NCc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is BAZFIIITNVGIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-20-21(12-16(2)14-24-20)26-22(27)25-15-19-6-4-17(5-7-19)13-18-8-10-23-11-9-18/h4-12,14H,3,13,15H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea?
1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 360.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 118301555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).