N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide

C15H12N2O2 — CID 60802763

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1)c1ccccn1
InChIInChI=1S/C15H12N2O2/c18-11-3-4-12-6-8-13(9-7-12)17-15(19)14-5-1-2-10-16-14/h1-2,5-10,18H,11H2,(H,17,19)
InChIKeyVNQKBRHVFBPLNJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.68
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide (PubChem CID 60802763) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
PubChem CID60802763
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C#CCO)cc1)c1ccccn1
InChIInChI=1S/C15H12N2O2/c18-11-3-4-12-6-8-13(9-7-12)17-15(19)14-5-1-2-10-16-14/h1-2,5-10,18H,11H2,(H,17,19)
InChIKeyVNQKBRHVFBPLNJ-UHFFFAOYSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.68
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-(3-hydroxyprop-1-ynyl)phenyl]thiadiazole-4-carboxamide
CID 65216612
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973932
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
CID 113272163
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82766969
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide (CID 60802763) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C#CCO)cc1)c1ccccn1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
The InChIKey is VNQKBRHVFBPLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-11-3-4-12-6-8-13(9-7-12)17-15(19)14-5-1-2-10-16-14/h1-2,5-10,18H,11H2,(H,17,19).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.68, 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)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60802763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).