1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea

C11H15N3O2 — CID 115687753

IUPAC1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
SMILESCCOc1ccc(NC(=O)NC2CC2)cn1
InChIInChI=1S/C11H15N3O2/c1-2-16-10-6-5-9(7-12-10)14-11(15)13-8-3-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15)
InChIKeyKYMPQKBPMSOTLN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.76
Rot. Bonds4

About 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea

1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea (PubChem CID 115687753) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
PubChem CID115687753
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
SMILESCCOc1ccc(NC(=O)NC2CC2)cn1
InChIInChI=1S/C11H15N3O2/c1-2-16-10-6-5-9(7-12-10)14-11(15)13-8-3-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15)
InChIKeyKYMPQKBPMSOTLN-UHFFFAOYSA-N
XLogP1.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47050040
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
(2R)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775745
(2S)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775742
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea?
The IUPAC name of 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea (CID 115687753) is 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea is CCOc1ccc(NC(=O)NC2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea?
The InChIKey is KYMPQKBPMSOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-10-6-5-9(7-12-10)14-11(15)13-8-3-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea?
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea has a molecular weight of 221.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea is sourced from PubChem (CID 115687753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).