5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide

C15H19N3O3 — CID 106917670

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H19N3O3/c1-11(14(20)16-2)10-18(3)15(21)13-7-6-12(9-17-13)5-4-8-19/h6-7,9,11,19H,8,10H2,1-3H3,(H,16,20)
InChIKeyMXUBWYXTVRQGDZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.12
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (PubChem CID 106917670) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
PubChem CID106917670
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H19N3O3/c1-11(14(20)16-2)10-18(3)15(21)13-7-6-12(9-17-13)5-4-8-19/h6-7,9,11,19H,8,10H2,1-3H3,(H,16,20)
InChIKeyMXUBWYXTVRQGDZ-UHFFFAOYSA-N
XLogP-0.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
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-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide (CID 106917670) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is CNC(=O)C(C)CN(C)C(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
The InChIKey is MXUBWYXTVRQGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(14(20)16-2)10-18(3)15(21)13-7-6-12(9-17-13)5-4-8-19/h6-7,9,11,19H,8,10H2,1-3H3,(H,16,20).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 106917670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).