3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

C15H19N3O2 — CID 66482261

IUPAC3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCC(CNC(=O)c2ccncc2C#CCO)C1
InChIInChI=1S/C15H19N3O2/c1-18-7-5-12(11-18)9-17-15(20)14-4-6-16-10-13(14)3-2-8-19/h4,6,10,12,19H,5,7-9,11H2,1H3,(H,17,20)
InChIKeyHYEIMAMEXUPEIW-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.11
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 66482261) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID66482261
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCC(CNC(=O)c2ccncc2C#CCO)C1
InChIInChI=1S/C15H19N3O2/c1-18-7-5-12(11-18)9-17-15(20)14-4-6-16-10-13(14)3-2-8-19/h4,6,10,12,19H,5,7-9,11H2,1H3,(H,17,20)
InChIKeyHYEIMAMEXUPEIW-UHFFFAOYSA-N
XLogP0.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.11
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

3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 66482084
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 79071328
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
N-(2-cyclopentylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482847
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81460687
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66482684
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 60855444
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66483848
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (CID 66482261) is 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is CN1CCC(CNC(=O)c2ccncc2C#CCO)C1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is HYEIMAMEXUPEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-7-5-12(11-18)9-17-15(20)14-4-6-16-10-13(14)3-2-8-19/h4,6,10,12,19H,5,7-9,11H2,1H3,(H,17,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66482261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).