N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide

C15H18N2O3 — CID 102820893

IUPACN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C15H18N2O3/c18-8-3-4-12-6-7-16-14(10-12)17-15(19)11-13-5-1-2-9-20-13/h6-7,10,13,18H,1-2,5,8-9,11H2,(H,16,17,19)
InChIKeyYVMMADVONJKOMR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds3

About N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide (PubChem CID 102820893) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide
PubChem CID102820893
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C15H18N2O3/c18-8-3-4-12-6-7-16-14(10-12)17-15(19)11-13-5-1-2-9-20-13/h6-7,10,13,18H,1-2,5,8-9,11H2,(H,16,17,19)
InChIKeyYVMMADVONJKOMR-UHFFFAOYSA-N
XLogP1.32
TPSA71.45 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 ≤ 51.32
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

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-(oxolan-2-yl)methanesulfonamide
CID 102821586
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide
CID 102821119
2-[(2S)-oxan-2-yl]-N-pyrazin-2-ylacetamide
CID 97309242
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 102820969
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148668

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide (CID 102820893) is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1cc(C#CCO)ccn1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide?
The InChIKey is YVMMADVONJKOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-8-3-4-12-6-7-16-14(10-12)17-15(19)11-13-5-1-2-9-20-13/h6-7,10,13,18H,1-2,5,8-9,11H2,(H,16,17,19).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide?
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 102820893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).