1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea

C10H11N3O2 — CID 47042553

IUPAC1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)Nc1cccnc1OC
InChIInChI=1S/C10H11N3O2/c1-3-6-12-10(14)13-8-5-4-7-11-9(8)15-2/h1,4-5,7H,6H2,2H3,(H2,12,13,14)
InChIKeyULJNPFLMIRIXOJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.84
Rot. Bonds3

About 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea

1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea (PubChem CID 47042553) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
PubChem CID47042553
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)Nc1cccnc1OC
InChIInChI=1S/C10H11N3O2/c1-3-6-12-10(14)13-8-5-4-7-11-9(8)15-2/h1,4-5,7H,6H2,2H3,(H2,12,13,14)
InChIKeyULJNPFLMIRIXOJ-UHFFFAOYSA-N
XLogP0.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
1-(2-methoxy-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47260319
1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 126792773
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116674

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea (CID 47042553) is 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea is C#CCNC(=O)Nc1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea?
The InChIKey is ULJNPFLMIRIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-6-12-10(14)13-8-5-4-7-11-9(8)15-2/h1,4-5,7H,6H2,2H3,(H2,12,13,14).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea?
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea has a molecular weight of 205.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea is sourced from PubChem (CID 47042553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).