5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

C16H22N4O — CID 62960481

IUPAC5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(C#CCN)cn2)CC1
InChIInChI=1S/C16H22N4O/c1-19-10-7-14(8-11-19)20(2)16(21)15-6-5-13(12-18-15)4-3-9-17/h5-6,12,14H,7-11,17H2,1-2H3
InChIKeyQFOLSIBHXOQEDB-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.56
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 62960481) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID62960481
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(C#CCN)cn2)CC1
InChIInChI=1S/C16H22N4O/c1-19-10-7-14(8-11-19)20(2)16(21)15-6-5-13(12-18-15)4-3-9-17/h5-6,12,14H,7-11,17H2,1-2H3
InChIKeyQFOLSIBHXOQEDB-UHFFFAOYSA-N
XLogP0.56
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 63275515
5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62960675
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62952665
5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 81318919
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 62953663
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63209030
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62954356
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62953349
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63625309
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 62960500

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (CID 62960481) is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is CN1CCC(N(C)C(=O)c2ccc(C#CCN)cn2)CC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is QFOLSIBHXOQEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-10-7-14(8-11-19)20(2)16(21)15-6-5-13(12-18-15)4-3-9-17/h5-6,12,14H,7-11,17H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62960481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).