N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide

C15H18N2O3 — CID 102821114

IUPACN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C15H18N2O3/c1-11-13(6-9-20-11)15(19)17-14-10-12(5-7-16-14)4-2-3-8-18/h5,7,10-11,13,18H,3,6,8-9H2,1H3,(H,16,17,19)
InChIKeyHHHXXFYAHYYWCY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.18
Rot. Bonds3

About N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide (PubChem CID 102821114) 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]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
PubChem CID102821114
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C15H18N2O3/c1-11-13(6-9-20-11)15(19)17-14-10-12(5-7-16-14)4-2-3-8-18/h5,7,10-11,13,18H,3,6,8-9H2,1H3,(H,16,17,19)
InChIKeyHHHXXFYAHYYWCY-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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]oxane-2-carboxamide
CID 102821119
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 102821209
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methyloxolane-3-carboxamide
CID 79763423
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102821444
4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821220
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide
CID 102821106

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide (CID 102821114) is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1cc(C#CCCO)ccn1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide?
The InChIKey is HHHXXFYAHYYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-13(6-9-20-11)15(19)17-14-10-12(5-7-16-14)4-2-3-8-18/h5,7,10-11,13,18H,3,6,8-9H2,1H3,(H,16,17,19).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide?
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.18, 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]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 102821114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).