N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C16H11N3O2 — CID 62958260

IUPACN-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C#CCO)cn2)cc1
InChIInChI=1S/C16H11N3O2/c17-10-12-3-6-14(7-4-12)19-16(21)15-8-5-13(11-18-15)2-1-9-20/h3-8,11,20H,9H2,(H,19,21)
InChIKeyZRRWQLOJKFNXEO-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.55
Rot. Bonds2

About N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 62958260) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID62958260
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC NameN-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(C#CCO)cn2)cc1
InChIInChI=1S/C16H11N3O2/c17-10-12-3-6-14(7-4-12)19-16(21)15-8-5-13(11-18-15)2-1-9-20/h3-8,11,20H,9H2,(H,19,21)
InChIKeyZRRWQLOJKFNXEO-UHFFFAOYSA-N
XLogP1.55
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.55
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-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(3-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959691
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60802763
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 62958260) is N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(C#CCO)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is ZRRWQLOJKFNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-10-12-3-6-14(7-4-12)19-16(21)15-8-5-13(11-18-15)2-1-9-20/h3-8,11,20H,9H2,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62958260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).