1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea

C25H27N3O — CID 58921712

IUPAC1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
SMILESO=C(NC1CCCC1)NC(Cc1ccccc1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C25H27N3O/c29-24(27-22-15-7-8-16-22)28-25(21-13-5-2-6-14-21,23-17-9-10-18-26-23)19-20-11-3-1-4-12-20/h1-6,9-14,17-18,22H,7-8,15-16,19H2,(H2,27,28,29)
InChIKeyGAVAGPPOJZKHJZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.81
Rot. Bonds6

About 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea

1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea (PubChem CID 58921712) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
PubChem CID58921712
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
SMILESO=C(NC1CCCC1)NC(Cc1ccccc1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C25H27N3O/c29-24(27-22-15-7-8-16-22)28-25(21-13-5-2-6-14-21,23-17-9-10-18-26-23)19-20-11-3-1-4-12-20/h1-6,9-14,17-18,22H,7-8,15-16,19H2,(H2,27,28,29)
InChIKeyGAVAGPPOJZKHJZ-UHFFFAOYSA-N
XLogP4.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58921043
1-[1-(5-amino-2-pyridinyl)-1-(3-fluoro-5-methylphenyl)-2-phenylethyl]-3-cyclopentylurea
CID 70793640
1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-(difluoromethoxy)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 58921131
1-[1-(5-acetyl-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 58921512
1-cyclopentyl-3-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(5-methoxy-2-pyridinyl)-2-phenylethyl]urea
CID 58921558
1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58920992
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 143473588
1-cyclopentyl-3-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-2-pyridinyl)-2-phenylethyl]urea
CID 58920647
1-[1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934315
1-[1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 66934458
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-3-cyclopentylurea
CID 58920768
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-cyclopentylurea
CID 58920821

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea (CID 58921712) is 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea is O=C(NC1CCCC1)NC(Cc1ccccc1)(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
The InChIKey is GAVAGPPOJZKHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-24(27-22-15-7-8-16-22)28-25(21-13-5-2-6-14-21,23-17-9-10-18-26-23)19-20-11-3-1-4-12-20/h1-6,9-14,17-18,22H,7-8,15-16,19H2,(H2,27,28,29).
What are the key properties of 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea has a molecular weight of 385.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 58921712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).