1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea

C16H19N3O — CID 47014443

IUPAC1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccccc1C(C)NC(=O)NCc1cccnc1
InChIInChI=1S/C16H19N3O/c1-12-6-3-4-8-15(12)13(2)19-16(20)18-11-14-7-5-9-17-10-14/h3-10,13H,11H2,1-2H3,(H2,18,19,20)
InChIKeyWRGLIJLGDUKFSY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.95
Rot. Bonds4

About 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea

1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 47014443) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID47014443
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccccc1C(C)NC(=O)NCc1cccnc1
InChIInChI=1S/C16H19N3O/c1-12-6-3-4-8-15(12)13(2)19-16(20)18-11-14-7-5-9-17-10-14/h3-10,13H,11H2,1-2H3,(H2,18,19,20)
InChIKeyWRGLIJLGDUKFSY-UHFFFAOYSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
1-[1-(2-methylphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841602
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
N-[4-[[1-(2-methylphenyl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 42935867
1-[(E)-3-methylbut-1-enyl]-3-(pyridin-3-ylmethyl)urea
CID 108910928
1-(2-anilino-3-methylbutyl)-3-(pyridin-3-ylmethyl)urea
CID 86998985

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea (CID 47014443) is 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea is Cc1ccccc1C(C)NC(=O)NCc1cccnc1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is WRGLIJLGDUKFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-3-4-8-15(12)13(2)19-16(20)18-11-14-7-5-9-17-10-14/h3-10,13H,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 269.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47014443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).