1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide

C14H18N4O2 — CID 154876938

IUPAC1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCCCc2cnccn2)C1
InChIInChI=1S/C14H18N4O2/c1-2-13(19)18-9-11(10-18)14(20)17-5-3-4-12-8-15-6-7-16-12/h2,6-8,11H,1,3-5,9-10H2,(H,17,20)
InChIKeyUNKUVHOOUQLFHT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.17
Rot. Bonds6

About 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide

1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide (PubChem CID 154876938) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide
PubChem CID154876938
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCCCc2cnccn2)C1
InChIInChI=1S/C14H18N4O2/c1-2-13(19)18-9-11(10-18)14(20)17-5-3-4-12-8-15-6-7-16-12/h2,6-8,11H,1,3-5,9-10H2,(H,17,20)
InChIKeyUNKUVHOOUQLFHT-UHFFFAOYSA-N
XLogP0.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154876940
1-[3-fluoro-3-(pyrazin-2-ylmethyl)azetidin-1-yl]prop-2-en-1-one
CID 140960095
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 56867752
(3R)-N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166428266
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513961
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
(3S)-N-(2-pyrazin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29180371

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide?
The IUPAC name of 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide (CID 154876938) is 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide?
The canonical SMILES for 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide is C=CC(=O)N1CC(C(=O)NCCCc2cnccn2)C1.
What is the InChIKey of 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide?
The InChIKey is UNKUVHOOUQLFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-13(19)18-9-11(10-18)14(20)17-5-3-4-12-8-15-6-7-16-12/h2,6-8,11H,1,3-5,9-10H2,(H,17,20).
What are the key properties of 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide?
1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide is sourced from PubChem (CID 154876938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).