5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide

C14H16N4O — CID 63228590

IUPAC5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C14H16N4O/c1-11(7-9-16)18(2)14(19)13-6-5-12(10-17-13)4-3-8-15/h5-6,10-11H,7-8,15H2,1-2H3
InChIKeyNWYSZTIARNVJQQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.77
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide (PubChem CID 63228590) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
PubChem CID63228590
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C14H16N4O/c1-11(7-9-16)18(2)14(19)13-6-5-12(10-17-13)4-3-8-15/h5-6,10-11H,7-8,15H2,1-2H3
InChIKeyNWYSZTIARNVJQQ-UHFFFAOYSA-N
XLogP0.77
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide (CID 63228590) is 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide is CC(CC#N)N(C)C(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is NWYSZTIARNVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11(7-9-16)18(2)14(19)13-6-5-12(10-17-13)4-3-8-15/h5-6,10-11H,7-8,15H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.77, 3 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-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63228590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).