1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea

C15H17N3O — CID 9115545

IUPAC1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1cccnc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(14-7-3-2-4-8-14)18-15(19)17-11-13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyWWNGWTPAHNMEMF-GFCCVEGCSA-N
MW255.32 g/mol
LogP2.64
Rot. Bonds4

About 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea

1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 9115545) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID9115545
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1cccnc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(14-7-3-2-4-8-14)18-15(19)17-11-13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyWWNGWTPAHNMEMF-GFCCVEGCSA-N
XLogP2.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
1-(1-phenylethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 19686584
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
1-[(4-methylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 94028539
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163986

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea (CID 9115545) is 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea is C[C@@H](NC(=O)NCc1cccnc1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is WWNGWTPAHNMEMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12(14-7-3-2-4-8-14)18-15(19)17-11-13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H2,17,18,19)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea?
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 255.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 9115545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).