3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C16H18N4O2S — CID 10882088

IUPAC3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)=CCCC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C16H18N4O2S/c1-11(2)5-3-7-13(21)19-12-6-4-8-17-14(12)15(22)20-16-18-9-10-23-16/h4-6,8-10H,3,7H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyVYOHOVAKDQFNDT-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.48
Rot. Bonds6

About 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 10882088) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID10882088
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)=CCCC(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C16H18N4O2S/c1-11(2)5-3-7-13(21)19-12-6-4-8-17-14(12)15(22)20-16-18-9-10-23-16/h4-6,8-10H,3,7H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyVYOHOVAKDQFNDT-UHFFFAOYSA-N
XLogP3.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.48
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-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 10882088) is 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(C)=CCCC(=O)Nc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is VYOHOVAKDQFNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(2)5-3-7-13(21)19-12-6-4-8-17-14(12)15(22)20-16-18-9-10-23-16/h4-6,8-10H,3,7H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhex-4-enoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 10882088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).