N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide

C15H18N2O3 — CID 102821119

IUPACN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide
SMILESO=C(Nc1cc(C#CCCO)ccn1)C1CCCCO1
InChIInChI=1S/C15H18N2O3/c18-9-3-1-5-12-7-8-16-14(11-12)17-15(19)13-6-2-4-10-20-13/h7-8,11,13,18H,2-4,6,9-10H2,(H,16,17,19)
InChIKeyOSEQFUQFUOANMM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds3

About N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide (PubChem CID 102821119) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide
PubChem CID102821119
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide
SMILESO=C(Nc1cc(C#CCCO)ccn1)C1CCCCO1
InChIInChI=1S/C15H18N2O3/c18-9-3-1-5-12-7-8-16-14(11-12)17-15(19)13-6-2-4-10-20-13/h7-8,11,13,18H,2-4,6,9-10H2,(H,16,17,19)
InChIKeyOSEQFUQFUOANMM-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-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
CID 102821114
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide
CID 102820893
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-2-carboxamide
CID 62214635
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
CID 81264318
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]oxane-2-carboxamide
CID 62212658
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide (CID 102821119) is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide is O=C(Nc1cc(C#CCCO)ccn1)C1CCCCO1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide?
The InChIKey is OSEQFUQFUOANMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-9-3-1-5-12-7-8-16-14(11-12)17-15(19)13-6-2-4-10-20-13/h7-8,11,13,18H,2-4,6,9-10H2,(H,16,17,19).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide?
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide 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-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide is sourced from PubChem (CID 102821119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).