1-(4-chloro-2-pyridinyl)-3-cyclopentylurea

C11H14ClN3O — CID 108902776

IUPAC1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
SMILESO=C(Nc1cc(Cl)ccn1)NC1CCCC1
InChIInChI=1S/C11H14ClN3O/c12-8-5-6-13-10(7-8)15-11(16)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,14,15,16)
InChIKeyNWKREXHTWLXEML-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea

1-(4-chloro-2-pyridinyl)-3-cyclopentylurea (PubChem CID 108902776) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
PubChem CID108902776
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
SMILESO=C(Nc1cc(Cl)ccn1)NC1CCCC1
InChIInChI=1S/C11H14ClN3O/c12-8-5-6-13-10(7-8)15-11(16)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,14,15,16)
InChIKeyNWKREXHTWLXEML-UHFFFAOYSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115699481
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
CID 142344622
1-(4-chloro-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913035

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea (CID 108902776) is 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea is O=C(Nc1cc(Cl)ccn1)NC1CCCC1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea?
The InChIKey is NWKREXHTWLXEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-8-5-6-13-10(7-8)15-11(16)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,14,15,16).
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea?
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea has a molecular weight of 239.71 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-cyclopentylurea is sourced from PubChem (CID 108902776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).