3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide

C14H17N3O2 — CID 107521646

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2ncccc2C#CCO)C1
InChIInChI=1S/C14H17N3O2/c1-17-8-6-12(10-17)16-14(19)13-11(5-3-9-18)4-2-7-15-13/h2,4,7,12,18H,6,8-10H2,1H3,(H,16,19)
InChIKeyJIGGGDOYJMOAJO-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.14
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 107521646) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
PubChem CID107521646
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2ncccc2C#CCO)C1
InChIInChI=1S/C14H17N3O2/c1-17-8-6-12(10-17)16-14(19)13-11(5-3-9-18)4-2-7-15-13/h2,4,7,12,18H,6,8-10H2,1H3,(H,16,19)
InChIKeyJIGGGDOYJMOAJO-UHFFFAOYSA-N
XLogP-0.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.14
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-3-yl)pyridine-2-carboxamide
CID 107521495
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
3-(3-hydroxyprop-1-ynyl)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 107523343
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 107522794
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
N-(2-hydroxycycloheptyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523083
3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 107523986
N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107521941
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 81458784
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523358

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide (CID 107521646) is 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide is CN1CCC(NC(=O)c2ncccc2C#CCO)C1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The InChIKey is JIGGGDOYJMOAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-8-6-12(10-17)16-14(19)13-11(5-3-9-18)4-2-7-15-13/h2,4,7,12,18H,6,8-10H2,1H3,(H,16,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -0.14, 2 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)pyridine-2-carboxamide is sourced from PubChem (CID 107521646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).