5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide

C15H17N3O3 — CID 106258786

IUPAC5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1=O
InChIInChI=1S/C15H17N3O3/c1-18-8-7-13(15(18)21)17-14(20)12-6-5-11(10-16-12)4-2-3-9-19/h5-6,10,13,19H,3,7-9H2,1H3,(H,17,20)
InChIKeySCMJEXJSOLNXIP-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.22
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 106258786) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide
PubChem CID106258786
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1=O
InChIInChI=1S/C15H17N3O3/c1-18-8-7-13(15(18)21)17-14(20)12-6-5-11(10-16-12)4-2-3-9-19/h5-6,10,13,19H,3,7-9H2,1H3,(H,17,20)
InChIKeySCMJEXJSOLNXIP-UHFFFAOYSA-N
XLogP-0.22
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide (CID 106258786) is 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide is CN1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1=O.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide?
The InChIKey is SCMJEXJSOLNXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-8-7-13(15(18)21)17-14(20)12-6-5-11(10-16-12)4-2-3-9-19/h5-6,10,13,19H,3,7-9H2,1H3,(H,17,20).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 106258786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).