1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea

C14H18N4O2 — CID 154754832

IUPAC1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
SMILESCC#CCNC(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-3-6-15-14(19)17-13-5-4-12(11-16-13)18-7-9-20-10-8-18/h4-5,11H,6-10H2,1H3,(H2,15,16,17,19)
InChIKeyDZGVGIWWZGKENG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds3

About 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea

1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea (PubChem CID 154754832) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
PubChem CID154754832
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
SMILESCC#CCNC(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-3-6-15-14(19)17-13-5-4-12(11-16-13)18-7-9-20-10-8-18/h4-5,11H,6-10H2,1H3,(H2,15,16,17,19)
InChIKeyDZGVGIWWZGKENG-UHFFFAOYSA-N
XLogP1.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645
3-(2-fluorophenyl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 38140626
2-(4-acetylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 38142916
(2S)-N-(5-morpholin-4-yl-2-pyridinyl)-2-phenoxybutanamide
CID 51886390
N-(5-morpholin-4-yl-2-pyridinyl)-2-phenoxybutanamide
CID 43049101
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide
CID 55549139
1-amino-N-(5-morpholin-4-yl-2-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842025

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea?
The IUPAC name of 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea (CID 154754832) is 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea.
What is the SMILES notation for 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea?
The canonical SMILES for 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea is CC#CCNC(=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea?
The InChIKey is DZGVGIWWZGKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-3-6-15-14(19)17-13-5-4-12(11-16-13)18-7-9-20-10-8-18/h4-5,11H,6-10H2,1H3,(H2,15,16,17,19).
What are the key properties of 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea?
1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea is sourced from PubChem (CID 154754832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).