N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide

C12H12N2O2 — CID 102820910

IUPACN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C#CCO)ccn1)C1CC1
InChIInChI=1S/C12H12N2O2/c15-7-1-2-9-5-6-13-11(8-9)14-12(16)10-3-4-10/h5-6,8,10,15H,3-4,7H2,(H,13,14,16)
InChIKeyFQKQNJGJKPIABR-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.77
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 102820910) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID102820910
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C#CCO)ccn1)C1CC1
InChIInChI=1S/C12H12N2O2/c15-7-1-2-9-5-6-13-11(8-9)14-12(16)10-3-4-10/h5-6,8,10,15H,3-4,7H2,(H,13,14,16)
InChIKeyFQKQNJGJKPIABR-UHFFFAOYSA-N
XLogP0.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-hydroxyprop-1-ynyl)-2-pyridinyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102821041
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102820836
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide
CID 102820893
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]oxane-2-carboxamide
CID 102821119
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 102820969
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylfuran-2-carboxamide
CID 102820944
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
CID 102821114

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide (CID 102820910) is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(C#CCO)ccn1)C1CC1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is FQKQNJGJKPIABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-7-1-2-9-5-6-13-11(8-9)14-12(16)10-3-4-10/h5-6,8,10,15H,3-4,7H2,(H,13,14,16).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 102820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).