(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone

C15H14N4O2 — CID 154796639

IUPAC(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
SMILESC#CC1COCCN1C(=O)c1ccnc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H14N4O2/c1-2-12-10-21-8-7-19(12)15(20)11-3-4-16-13(9-11)14-17-5-6-18-14/h1,3-6,9,12H,7-8,10H2,(H,17,18)
InChIKeyYWZFSSLGFPXVBH-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.95
Rot. Bonds2

About (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone

(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone (PubChem CID 154796639) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
PubChem CID154796639
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
SMILESC#CC1COCCN1C(=O)c1ccnc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H14N4O2/c1-2-12-10-21-8-7-19(12)15(20)11-3-4-16-13(9-11)14-17-5-6-18-14/h1,3-6,9,12H,7-8,10H2,(H,17,18)
InChIKeyYWZFSSLGFPXVBH-UHFFFAOYSA-N
XLogP0.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 125419699
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 136545133
[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 154858565
[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 55047498
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154850598
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
CID 118793260
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142

Frequently Asked Questions

What is the IUPAC name of (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The IUPAC name of (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone (CID 154796639) is (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The canonical SMILES for (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone is C#CC1COCCN1C(=O)c1ccnc(-c2ncc[nH]2)c1.
What is the InChIKey of (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The InChIKey is YWZFSSLGFPXVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-12-10-21-8-7-19(12)15(20)11-3-4-16-13(9-11)14-17-5-6-18-14/h1,3-6,9,12H,7-8,10H2,(H,17,18).
What are the key properties of (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone has a molecular weight of 282.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 154796639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).