(2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide

C15H18N2O3 — CID 97250433

IUPAC(2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccnc(O[C@H]2CCOC2)c1
InChIInChI=1S/C15H18N2O3/c1-2-3-4-5-14(18)17-12-6-8-16-15(10-12)20-13-7-9-19-11-13/h2-6,8,10,13H,7,9,11H2,1H3,(H,16,17,18)/b3-2+,5-4+/t13-/m0/s1
InChIKeyHKKZQBGQCOYCMH-VGOFJFCRSA-N
MW274.32 g/mol
LogP2.32
Rot. Bonds5

About (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide

(2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide (PubChem CID 97250433) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
PubChem CID97250433
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccnc(O[C@H]2CCOC2)c1
InChIInChI=1S/C15H18N2O3/c1-2-3-4-5-14(18)17-12-6-8-16-15(10-12)20-13-7-9-19-11-13/h2-6,8,10,13H,7,9,11H2,1H3,(H,16,17,18)/b3-2+,5-4+/t13-/m0/s1
InChIKeyHKKZQBGQCOYCMH-VGOFJFCRSA-N
XLogP2.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide
CID 97250432
N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]cyclobutanecarboxamide
CID 97329801
2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide
CID 97250434
1-cycloheptyl-1-methyl-3-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]urea
CID 99643155
1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea
CID 138004617
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
2-(3-fluorophenyl)-N-[2-(oxolan-3-yloxy)-4-pyridinyl]acetamide
CID 84594953
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617694
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide (CID 97250433) is (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccnc(O[C@H]2CCOC2)c1.
What is the InChIKey of (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide?
The InChIKey is HKKZQBGQCOYCMH-VGOFJFCRSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-3-4-5-14(18)17-12-6-8-16-15(10-12)20-13-7-9-19-11-13/h2-6,8,10,13H,7,9,11H2,1H3,(H,16,17,18)/b3-2+,5-4+/t13-/m0/s1.
What are the key properties of (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide?
(2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide has a molecular weight of 274.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]hexa-2,4-dienamide is sourced from PubChem (CID 97250433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).