1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide

C15H18N4O2 — CID 107524071

IUPAC1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1ncccc1C#CCN
InChIInChI=1S/C15H18N4O2/c1-17-14(20)12-7-4-10-19(12)15(21)13-11(5-2-8-16)6-3-9-18-13/h3,6,9,12H,4,7-8,10,16H2,1H3,(H,17,20)
InChIKeyZFJDZLQMBWKRRV-UHFFFAOYSA-N
MW286.34 g/mol
LogP-0.26
Rot. Bonds2

About 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide

1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 107524071) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID107524071
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1ncccc1C#CCN
InChIInChI=1S/C15H18N4O2/c1-17-14(20)12-7-4-10-19(12)15(21)13-11(5-2-8-16)6-3-9-18-13/h3,6,9,12H,4,7-8,10,16H2,1H3,(H,17,20)
InChIKeyZFJDZLQMBWKRRV-UHFFFAOYSA-N
XLogP-0.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-0.26
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-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 107523595
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107524939
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 107524914
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107523740
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-2-pyridinyl]methanone
CID 107524658
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 107522754
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522288
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 107523930
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107524854
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 107524428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide (CID 107524071) is 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1ncccc1C#CCN.
What is the InChIKey of 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZFJDZLQMBWKRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-14(20)12-7-4-10-19(12)15(21)13-11(5-2-8-16)6-3-9-18-13/h3,6,9,12H,4,7-8,10,16H2,1H3,(H,17,20).
What are the key properties of 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide?
1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107524071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).