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

C16H15N3O2 — CID 62958085

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#CCO)cn1)c1ccncc1
InChIInChI=1S/C16H15N3O2/c1-12(14-6-8-17-9-7-14)19-16(21)15-5-4-13(11-18-15)3-2-10-20/h4-9,11-12,20H,10H2,1H3,(H,19,21)
InChIKeyFIZMWHVLZRCTQN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.31
Rot. Bonds3

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

5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 62958085) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID62958085
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#CCO)cn1)c1ccncc1
InChIInChI=1S/C16H15N3O2/c1-12(14-6-8-17-9-7-14)19-16(21)15-5-4-13(11-18-15)3-2-10-20/h4-9,11-12,20H,10H2,1H3,(H,19,21)
InChIKeyFIZMWHVLZRCTQN-UHFFFAOYSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.31
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-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62957929
N-[1-[4-(3-hydroxyprop-1-ynyl)phenyl]ethyl]thiadiazole-4-carboxamide
CID 65216183
5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62957931
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
5-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 55152113
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 102922419
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
N-(3-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959691
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62958428

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 62958085) is 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide is CC(NC(=O)c1ccc(C#CCO)cn1)c1ccncc1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is FIZMWHVLZRCTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12(14-6-8-17-9-7-14)19-16(21)15-5-4-13(11-18-15)3-2-10-20/h4-9,11-12,20H,10H2,1H3,(H,19,21).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62958085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).