N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide

C21H28N4O3 — CID 154704055

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide
SMILESC=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cccnc1
InChIInChI=1S/C21H28N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h8-13,18H,1H2,2-7H3,(H,23,27)
InChIKeyYMEIOCLSGZVOGS-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.54
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide (PubChem CID 154704055) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide
PubChem CID154704055
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide
SMILESC=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cccnc1
InChIInChI=1S/C21H28N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h8-13,18H,1H2,2-7H3,(H,23,27)
InChIKeyYMEIOCLSGZVOGS-UHFFFAOYSA-N
XLogP3.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide (CID 154704055) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide is C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cccnc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide?
The InChIKey is YMEIOCLSGZVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h8-13,18H,1H2,2-7H3,(H,23,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide has a molecular weight of 384.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)prop-2-enamide is sourced from PubChem (CID 154704055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).