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

C15H18N2O2 — CID 102821245

IUPACN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cc(C#CCCO)ccn1)C1CCCC1
InChIInChI=1S/C15H18N2O2/c18-10-4-3-5-12-8-9-16-14(11-12)17-15(19)13-6-1-2-7-13/h8-9,11,13,18H,1-2,4,6-7,10H2,(H,16,17,19)
InChIKeyBEJCEBKXHCMOLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds3

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

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide (PubChem CID 102821245) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
PubChem CID102821245
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cc(C#CCCO)ccn1)C1CCCC1
InChIInChI=1S/C15H18N2O2/c18-10-4-3-5-12-8-9-16-14(11-12)17-15(19)13-6-1-2-7-13/h8-9,11,13,18H,1-2,4,6-7,10H2,(H,16,17,19)
InChIKeyBEJCEBKXHCMOLB-UHFFFAOYSA-N
XLogP1.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide
CID 102821119
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
CID 102821114
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
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
4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821220
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide (CID 102821245) is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cc(C#CCCO)ccn1)C1CCCC1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide?
The InChIKey is BEJCEBKXHCMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-10-4-3-5-12-8-9-16-14(11-12)17-15(19)13-6-1-2-7-13/h8-9,11,13,18H,1-2,4,6-7,10H2,(H,16,17,19).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide?
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 102821245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).