3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea

C15H21N3O — CID 71937848

IUPAC3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
SMILESO=C(NC1CCCC1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H21N3O/c19-15(17-13-5-1-2-6-13)18(14-7-8-14)11-12-4-3-9-16-10-12/h3-4,9-10,13-14H,1-2,5-8,11H2,(H,17,19)
InChIKeyYSZOZDYZZGHUOY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.70
Rot. Bonds4

About 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea

3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 71937848) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
PubChem CID71937848
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
SMILESO=C(NC1CCCC1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H21N3O/c19-15(17-13-5-1-2-6-13)18(14-7-8-14)11-12-4-3-9-16-10-12/h3-4,9-10,13-14H,1-2,5-8,11H2,(H,17,19)
InChIKeyYSZOZDYZZGHUOY-UHFFFAOYSA-N
XLogP2.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(pyridin-3-ylmethyl)thiourea
CID 51430350
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
1-benzyl-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea
CID 17065496
3-cycloheptyl-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17383941
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 75133203
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
1-cyclohexyl-3-(1-methylbenzimidazol-5-yl)-1-(pyridin-3-ylmethyl)urea
CID 118795485
1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
CID 126785941

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea (CID 71937848) is 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea is O=C(NC1CCCC1)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is YSZOZDYZZGHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(17-13-5-1-2-6-13)18(14-7-8-14)11-12-4-3-9-16-10-12/h3-4,9-10,13-14H,1-2,5-8,11H2,(H,17,19).
What are the key properties of 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea?
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 259.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 71937848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).