[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

C14H17N3O — CID 62954356

IUPAC[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C#CCN)cn2)C1
InChIInChI=1S/C14H17N3O/c1-11-6-8-17(10-11)14(18)13-5-4-12(9-16-13)3-2-7-15/h4-5,9,11H,6-8,10,15H2,1H3
InChIKeyLDASSRGKNOIRHH-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.87
Rot. Bonds1

About [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62954356) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62954356
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C#CCN)cn2)C1
InChIInChI=1S/C14H17N3O/c1-11-6-8-17(10-11)14(18)13-5-4-12(9-16-13)3-2-7-15/h4-5,9,11H,6-8,10,15H2,1H3
InChIKeyLDASSRGKNOIRHH-UHFFFAOYSA-N
XLogP0.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63625309
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959900
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
CID 62954015
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680682
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 62960500
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627770
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963953
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458089
5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62960481
5-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 63275515
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964022
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964038

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (CID 62954356) is [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(C#CCN)cn2)C1.
What is the InChIKey of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is LDASSRGKNOIRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-6-8-17(10-11)14(18)13-5-4-12(9-16-13)3-2-7-15/h4-5,9,11H,6-8,10,15H2,1H3.
What are the key properties of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62954356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).