1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

C18H21N3O — CID 94163986

IUPAC1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H21N3O/c1-14(15-6-5-11-19-12-15)21-17(22)20-13-18(9-10-18)16-7-3-2-4-8-16/h2-8,11-12,14H,9-10,13H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyBNTODMXDUZJXIP-AWEZNQCLSA-N
MW295.39 g/mol
LogP3.17
Rot. Bonds5

About 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 94163986) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID94163986
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H21N3O/c1-14(15-6-5-11-19-12-15)21-17(22)20-13-18(9-10-18)16-7-3-2-4-8-16/h2-8,11-12,14H,9-10,13H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyBNTODMXDUZJXIP-AWEZNQCLSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
1-[(3-bromothiophen-2-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 122160095
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
(2S)-3-methyl-2-(1-pyridin-3-ylethylcarbamoylamino)pentanoic acid
CID 61198650
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
1-[(4-methylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 94028539
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 115453576
1-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095230

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (CID 94163986) is 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is C[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1cccnc1.
What is the InChIKey of 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is BNTODMXDUZJXIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(15-6-5-11-19-12-15)21-17(22)20-13-18(9-10-18)16-7-3-2-4-8-16/h2-8,11-12,14H,9-10,13H2,1H3,(H2,20,21,22)/t14-/m0/s1.
What are the key properties of 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 295.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 94163986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).