1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide

C15H18N4O2 — CID 66481912

IUPAC1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
SMILESNCC#Cc1cnccc1C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C15H18N4O2/c16-6-1-3-11-9-18-7-5-13(11)15(21)19-8-2-4-12(10-19)14(17)20/h5,7,9,12H,2,4,6,8,10,16H2,(H2,17,20)
InChIKeyHAIBIJWQVKIMLK-UHFFFAOYSA-N
MW286.34 g/mol
LogP-0.27
Rot. Bonds2

About 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide

1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide (PubChem CID 66481912) 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-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
PubChem CID66481912
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
SMILESNCC#Cc1cnccc1C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C15H18N4O2/c16-6-1-3-11-9-18-7-5-13(11)15(21)19-8-2-4-12(10-19)14(17)20/h5,7,9,12H,2,4,6,8,10,16H2,(H2,17,20)
InChIKeyHAIBIJWQVKIMLK-UHFFFAOYSA-N
XLogP-0.27
TPSA102.31 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 ≤ 5-0.27
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

1-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
CID 66482050
[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964074
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 115561134
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 66483802
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66484784
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 82753353
methyl 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 66483676
(4-hydroxypiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66483024
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66484039
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66482684
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide (CID 66481912) is 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide is NCC#Cc1cnccc1C(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is HAIBIJWQVKIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-6-1-3-11-9-18-7-5-13(11)15(21)19-8-2-4-12(10-19)14(17)20/h5,7,9,12H,2,4,6,8,10,16H2,(H2,17,20).
What are the key properties of 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide?
1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of -0.27, 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-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 66481912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).