3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C15H16N4O2S — CID 10881619

IUPAC3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)=CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C15H16N4O2S/c1-10(2)5-6-12(20)18-11-4-3-7-16-13(11)14(21)19-15-17-8-9-22-15/h3-5,7-9H,6H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyQLSMZADEWAIARS-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.09
Rot. Bonds5

About 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 10881619) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID10881619
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)=CCC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C15H16N4O2S/c1-10(2)5-6-12(20)18-11-4-3-7-16-13(11)14(21)19-15-17-8-9-22-15/h3-5,7-9H,6H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyQLSMZADEWAIARS-UHFFFAOYSA-N
XLogP3.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 10881619) is 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(C)=CCC(=O)Nc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is QLSMZADEWAIARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10(2)5-6-12(20)18-11-4-3-7-16-13(11)14(21)19-15-17-8-9-22-15/h3-5,7-9H,6H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 10881619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).