3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

C14H18ClN3O2 — CID 47434717

IUPAC3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Nc1cccnc1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H18ClN3O2/c15-13-12(2-1-6-16-13)17-14(19)18(11-3-4-11)8-10-5-7-20-9-10/h1-2,6,10-11H,3-5,7-9H2,(H,17,19)
InChIKeyIJFOKTRKLLRJAU-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.77
Rot. Bonds4

About 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 47434717) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
PubChem CID47434717
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESO=C(Nc1cccnc1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H18ClN3O2/c15-13-12(2-1-6-16-13)17-14(19)18(11-3-4-11)8-10-5-7-20-9-10/h1-2,6,10-11H,3-5,7-9H2,(H,17,19)
InChIKeyIJFOKTRKLLRJAU-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94124059
3-(2-chloro-4-nitrophenyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86987287
1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94178436
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007472
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
4-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 81226868

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (CID 47434717) is 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is O=C(Nc1cccnc1Cl)N(CC1CCOC1)C1CC1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is IJFOKTRKLLRJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-13-12(2-1-6-16-13)17-14(19)18(11-3-4-11)8-10-5-7-20-9-10/h1-2,6,10-11H,3-5,7-9H2,(H,17,19).
What are the key properties of 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 295.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 47434717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).